From the standpoint of chemical structures,the organic backbones of energetic materials can be classified into aromatic rings,nonaromatic rings,and open chains.Although the category of aromatic energetic compounds exh...From the standpoint of chemical structures,the organic backbones of energetic materials can be classified into aromatic rings,nonaromatic rings,and open chains.Although the category of aromatic energetic compounds exhibits several advantages in the regulation of energetic properties,the nonaromatic heterocycles,assembling nitramino explosophores with simple alkyl bridges,still have prevailed in benchmark materials.The methylene bridge plays a pivotal role in the constructions of the classic nonaromatic heterocycle-based energetic compounds,e.g.,hexahydro-1,3,5-trinitro-1,3,5-triazine(RDX)and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine(HMX),whereas ethylene bridge is the core moiety of state-of-the-art explosive 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20).In this context,it is of great interest to employ simple and practical bridges to assemble aromatic and nonaromatic nitrogen-rich heterocycles,thereby expanding the structural diversity of energetic materials,e.g.,bridged and fused nitrogen-rich poly-heterocycles.Furthermore,alkyl-bridged poly-heterocycles highlight the potential for the open chain type of energetic materials.In this review,the development of alkyl bridges in linking nitrogen-rich heterocycles is presented,and the perspective of the newly constructed energetic backbones is summarized for the future design of advanced energetic materials.展开更多
The weak interface interaction and solid-solid phase transition have long been a conundrum for 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane(HMX)-based polymer-bonded explosives(PBX).A two-step strategy that involves...The weak interface interaction and solid-solid phase transition have long been a conundrum for 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane(HMX)-based polymer-bonded explosives(PBX).A two-step strategy that involves the pretreatment of HMX to endow—OH groups on the surface via polyalcohol bonding agent modification and in situ coating with nitrate ester-containing polymer,was proposed to address the problem.Two types of energetic polyether—glycidyl azide polymer(GAP)and nitrate modified GAP(GNP)were grafted onto HMX crystal based on isocyanate addition reaction bridged through neutral polymeric bonding agent(NPBA)layer.The morphology and structure of the HMX-based composites were characterized in detail and the core-shell structure was validated.The grafted polymers obviously enhanced the adhesion force between HMX crystals and fluoropolymer(F2314)binder.Due to the interfacial reinforcement among the components,the two HMX-based composites exhibited a remarkable increment of phase transition peak temperature by 10.2°C and 19.6°C with no more than 1.5%shell content,respectively.Furthermore,the impact and friction sensitivity of the composites decreased significantly as a result of the barrier produced by the grafted polymers.These findings will enhance the future prospects for the interface design of energetic composites aiming to solve the weak interface and safety concerns.展开更多
Energetic metal-organic complexes have been involved in nanothermites as novel oxidants.However,the existing preparation methods often lead to mixing inhomogeneity and small contact area of ingredients,the reactivity ...Energetic metal-organic complexes have been involved in nanothermites as novel oxidants.However,the existing preparation methods often lead to mixing inhomogeneity and small contact area of ingredients,the reactivity and functionality of the novel energetic nanocomposites are still limited.In this work,spray crystallization(SC)method was used to prepare novel energetic nanocomposites,the high-energy metal-organic complex[Ni(CHZ)_(3)](ClO_(4))_(2)(CHZ=1,3-diaminourea)was composited with nanoaluminum(n-Al).Results showed that n-Al/[Ni(CH_(2))_(3)](ClO_(4))_(2)energetic nanocomposites prepared by SC method increased heat release to 2977.6 J/g and peak pressure to 3.91 MPa with higher pressurization rate(1324.06 MPa/s),decreased sensitivity thresholds(>100 mJ)to electrostatic discharge(ESD)and enhanced detonation ability compared with[Ni(CHZ)_(3)](ClO_(4))_(2)alone and physically mixed(PM)n-Al/[Ni(CHZ)_(3)](ClO_(4))_(2).These results proved that it is significant to introduce energetic metal-organic complexes with inherent high energy in new-concept n-Al/energetic metal-organic complexes nanocomposites through SC method for a better performance of its application.展开更多
Two novel energetic coordination compounds Zn2（DAT）5（H2O）3（TNR）2 and Co2（DAT）5（H2O）3（TNR）2 were synthesized and their structures were characterized by elemental analysis and FT-IR spectroscopy.The crystal ...Two novel energetic coordination compounds Zn2（DAT）5（H2O）3（TNR）2 and Co2（DAT）5（H2O）3（TNR）2 were synthesized and their structures were characterized by elemental analysis and FT-IR spectroscopy.The crystal structures were determined by single-crystal X-ray diffraction.The results reveal that the compounds have similar molecular structures and the crystals belong to the triclinic system,space group P with a = 11.491（3）,b = 13.564（3）,c = 15.496（3） ,V = 2180.4（8） 3,C17H28 Zn2N36O19,Mr = 1203.02 g·mol-1,Dc = 1.832 g·cm-3,μ（MoKα） = 1.221 mm-1,F（000） = 1223,Z = 2,R = 0.0596 and wR = 0.1514 for 11289 observed reflections（I 〉 2σ（I）） for Zn2（DAT）5（H2O）3（TNR）2 and a = 11.5291（13）,b = 13.4894（15）,c = 15.4852（17） ,V = 2164.8（4） 3,C17H28Co2N36O19,Mr = 1190.14 g·mol-1,Dc = 1.826 g·cm-3,μ（MoKα） = 0.888 mm-1,F（000） = 1211,Z = 2,R = 0.0576 and wR = 0.1431 for 11218 observed reflections（I 〉 2σ（I）） for Co2（DAT）5（H2O）3（TNR）2,respectively.The thermal decomposition characteristics of the com-pounds were investigated using differential scanning calorimetry and thermal gravimetry-diffediffer-rential thermal gravimetry.The results of thermal decomposition processes were similar for the two compounds.Both undergo four-step decomposition after the loss of coordinated H2O molecules.The final solid residues for the two DAT complexes were the corresponding metal oxides.The kinetic parameter of the first exothermic process of the compounds was studied by applying the Kissinger and Ozawa-Doyle methods.The thermodynamic parameters of the activation could be calculated.Sensitivity tests revealed that Co2（DAT）5（H2O）3（TNR）2 was more sensitive than Zn2（DAT）5（H2O）3（TNR）2.展开更多
A novel cuprous azide complex with the formula of [Cu2（dmpz）（N3）2]n（1, dmpz： 2,6-dimethylpyrazine） has been synthesized through hydrothermal synthesis with the reducibility of H3PO3 and structurally characteriz...A novel cuprous azide complex with the formula of [Cu2（dmpz）（N3）2]n（1, dmpz： 2,6-dimethylpyrazine） has been synthesized through hydrothermal synthesis with the reducibility of H3PO3 and structurally characterized by single-crystal X-ray diffraction method. Single-crystal X-ray diffraction analysis reveals the title complex represents a three-dimensional network structure featuring 2D [Cu N3]n plane units bridged by bridging dmpz ligands to form a 3D network. Research results reveal that 1 has lower impact sensitivity and friction sensitivity, which may be expected to become insensitive energetic material and have potential applications. Crystal data： monoclinic, space group C2/c, a = 17.8599（15）, b = 8.2889（5）, c = 14.8076（14） A, β = 113.2580（10）o, V = 2014.0（3） A3, Z = 8, S = 1.025, the final R = 0.0303, w R = 0.0825 for 1460 observed reflections with I 2σ（I） and R = 0.0386, wR = 0.0870 for all reflections. In addition, elemental analysis, IR, and sensitivity characterization are presented.展开更多
A new energetic complex [Hg（DAT）Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. Th...A new energetic complex [Hg（DAT）Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P21/c space group, and a = 4.0342（3）, b = 17.7999（12）, c = 10.0127（7） , β = 91.558（1）°, V = 718.73（9） 3, Z = 4, CH4Cl2HgN6, Mr = 371.59, Dc = 3.434 g·cm-3, F（000） = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with Ⅰ 〉 2σ（Ⅰ）. The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.展开更多
A large database is desired for machine learning(ML) technology to make accurate predictions of materials physicochemical properties based on their molecular structure.When a large database is not available,the develo...A large database is desired for machine learning(ML) technology to make accurate predictions of materials physicochemical properties based on their molecular structure.When a large database is not available,the development of proper featurization method based on physicochemical nature of target proprieties can improve the predictive power of ML models with a smaller database.In this work,we show that two new featurization methods,volume occupation spatial matrix and heat contribution spatial matrix,can improve the accuracy in predicting energetic materials' crystal density(ρ_(crystal)) and solid phase enthalpy of formation(H_(f,solid)) using a database containing 451 energetic molecules.Their mean absolute errors are reduced from 0.048 g/cm~3 and 24.67 kcal/mol to 0.035 g/cm~3 and 9.66 kcal/mol,respectively.By leave-one-out-cross-validation,the newly developed ML models can be used to determine the performance of most kinds of energetic materials except cubanes.Our ML models are applied to predict ρ_(crystal) and H_(f,solid) of CHON-based molecules of the 150 million sized PubChem database,and screened out 56 candidates with competitive detonation performance and reasonable chemical structures.With further improvement in future,spatial matrices have the potential of becoming multifunctional ML simulation tools that could provide even better predictions in wider fields of materials science.展开更多
Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing two nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structur...Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing two nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structure of DNBPDC（DNBPDC=2,2＇- dinitro-4,4＇-biphenyldicarboxylic acid） was determined by X-ray single crystal diffraction and the thermal decomposition was carried out through DSC and TG-DTG analyses.展开更多
In this research,a promising class of insensitive and high-energy dense biopolymers,which contain nitrogen-rich 1H-tetrazol-1-yl acetate and nitrate ester functional groups,was successfully synthesized through tetrazo...In this research,a promising class of insensitive and high-energy dense biopolymers,which contain nitrogen-rich 1H-tetrazol-1-yl acetate and nitrate ester functional groups,was successfully synthesized through tetrazole derivatization and nitration of cellulose and its micro-sized derivative(TNCN and TCMCN).Their molecular structures,physicochemical properties,thermal behaviors,mechanical sensitivities and detonation performances were studied and compared to those of the corresponding nitrocellulose and nitrated micro-sized cellulose(NCN and CMCN).The developed energetic TNCN and TCMCN exhibited insensitive character with excellent features such as density of 1.710 g/cm3and 1.726 g/cm3,nitrogen content of 20.95%and 22.59%,and detonation velocity of 7552 m/s and 7786 m/s,respectively,and thereby demonstrate their potential applications as new generation of energetic biopolymers to substitute the common NCN.Furthermore,thermal results showed that the designed nitrated and chemical modified cellulosic biopolymers displayed good thermal stability with multistep decomposition mechanism.These results enrich future prospects for the design of promising insensitive and high-energy dense cellulose-rich materials and commence a new chapter in this field.展开更多
Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ra...Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ray diffraction with the following data: C6H6N10O3, monoclinic, P21/n, Z = 4, a = 8.402(3), b = 15.146(3), c = 9.247(3) ? ?= 111.09(2)? V = 1098.0(6) 3, Mr = 266.18, Dc = 1.610 g/cm3, F(000) = 544, ?=1.34 cm-1, R = 0.037 and wR = 0.044 for 2136 observed reflections (I > 2(I)). Intra- and inter-molecular hydrogen bonds were identified between the O and H atoms of two intramolecular acetylamino groups and two intermolecular acetylamino groups, respectively.展开更多
基金National Natural Science Foundation of China(Grant Nos.22075023,22205022,and 22235003)to provide fund for conducting experiments。
文摘From the standpoint of chemical structures,the organic backbones of energetic materials can be classified into aromatic rings,nonaromatic rings,and open chains.Although the category of aromatic energetic compounds exhibits several advantages in the regulation of energetic properties,the nonaromatic heterocycles,assembling nitramino explosophores with simple alkyl bridges,still have prevailed in benchmark materials.The methylene bridge plays a pivotal role in the constructions of the classic nonaromatic heterocycle-based energetic compounds,e.g.,hexahydro-1,3,5-trinitro-1,3,5-triazine(RDX)and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine(HMX),whereas ethylene bridge is the core moiety of state-of-the-art explosive 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20).In this context,it is of great interest to employ simple and practical bridges to assemble aromatic and nonaromatic nitrogen-rich heterocycles,thereby expanding the structural diversity of energetic materials,e.g.,bridged and fused nitrogen-rich poly-heterocycles.Furthermore,alkyl-bridged poly-heterocycles highlight the potential for the open chain type of energetic materials.In this review,the development of alkyl bridges in linking nitrogen-rich heterocycles is presented,and the perspective of the newly constructed energetic backbones is summarized for the future design of advanced energetic materials.
基金the support for this work by National Natural Science Foundation of China(Grant Nos.22175139 and 22105156)。
文摘The weak interface interaction and solid-solid phase transition have long been a conundrum for 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane(HMX)-based polymer-bonded explosives(PBX).A two-step strategy that involves the pretreatment of HMX to endow—OH groups on the surface via polyalcohol bonding agent modification and in situ coating with nitrate ester-containing polymer,was proposed to address the problem.Two types of energetic polyether—glycidyl azide polymer(GAP)and nitrate modified GAP(GNP)were grafted onto HMX crystal based on isocyanate addition reaction bridged through neutral polymeric bonding agent(NPBA)layer.The morphology and structure of the HMX-based composites were characterized in detail and the core-shell structure was validated.The grafted polymers obviously enhanced the adhesion force between HMX crystals and fluoropolymer(F2314)binder.Due to the interfacial reinforcement among the components,the two HMX-based composites exhibited a remarkable increment of phase transition peak temperature by 10.2°C and 19.6°C with no more than 1.5%shell content,respectively.Furthermore,the impact and friction sensitivity of the composites decreased significantly as a result of the barrier produced by the grafted polymers.These findings will enhance the future prospects for the interface design of energetic composites aiming to solve the weak interface and safety concerns.
基金supported by National Natural Science Foundation of China(project no.51676100)。
文摘Energetic metal-organic complexes have been involved in nanothermites as novel oxidants.However,the existing preparation methods often lead to mixing inhomogeneity and small contact area of ingredients,the reactivity and functionality of the novel energetic nanocomposites are still limited.In this work,spray crystallization(SC)method was used to prepare novel energetic nanocomposites,the high-energy metal-organic complex[Ni(CHZ)_(3)](ClO_(4))_(2)(CHZ=1,3-diaminourea)was composited with nanoaluminum(n-Al).Results showed that n-Al/[Ni(CH_(2))_(3)](ClO_(4))_(2)energetic nanocomposites prepared by SC method increased heat release to 2977.6 J/g and peak pressure to 3.91 MPa with higher pressurization rate(1324.06 MPa/s),decreased sensitivity thresholds(>100 mJ)to electrostatic discharge(ESD)and enhanced detonation ability compared with[Ni(CHZ)_(3)](ClO_(4))_(2)alone and physically mixed(PM)n-Al/[Ni(CHZ)_(3)](ClO_(4))_(2).These results proved that it is significant to introduce energetic metal-organic complexes with inherent high energy in new-concept n-Al/energetic metal-organic complexes nanocomposites through SC method for a better performance of its application.
基金supported by the National Natural Science Foundation of China (NSAF: 10776002)the project of State Key Laboratory of Science and Technology (No. QNKT11-06, YBKY10-03)the Program for New Century Excellent Talents in University (NCET-09-0051)
文摘Two novel energetic coordination compounds Zn2（DAT）5（H2O）3（TNR）2 and Co2（DAT）5（H2O）3（TNR）2 were synthesized and their structures were characterized by elemental analysis and FT-IR spectroscopy.The crystal structures were determined by single-crystal X-ray diffraction.The results reveal that the compounds have similar molecular structures and the crystals belong to the triclinic system,space group P with a = 11.491（3）,b = 13.564（3）,c = 15.496（3） ,V = 2180.4（8） 3,C17H28 Zn2N36O19,Mr = 1203.02 g·mol-1,Dc = 1.832 g·cm-3,μ（MoKα） = 1.221 mm-1,F（000） = 1223,Z = 2,R = 0.0596 and wR = 0.1514 for 11289 observed reflections（I 〉 2σ（I）） for Zn2（DAT）5（H2O）3（TNR）2 and a = 11.5291（13）,b = 13.4894（15）,c = 15.4852（17） ,V = 2164.8（4） 3,C17H28Co2N36O19,Mr = 1190.14 g·mol-1,Dc = 1.826 g·cm-3,μ（MoKα） = 0.888 mm-1,F（000） = 1211,Z = 2,R = 0.0576 and wR = 0.1431 for 11218 observed reflections（I 〉 2σ（I）） for Co2（DAT）5（H2O）3（TNR）2,respectively.The thermal decomposition characteristics of the com-pounds were investigated using differential scanning calorimetry and thermal gravimetry-diffediffer-rential thermal gravimetry.The results of thermal decomposition processes were similar for the two compounds.Both undergo four-step decomposition after the loss of coordinated H2O molecules.The final solid residues for the two DAT complexes were the corresponding metal oxides.The kinetic parameter of the first exothermic process of the compounds was studied by applying the Kissinger and Ozawa-Doyle methods.The thermodynamic parameters of the activation could be calculated.Sensitivity tests revealed that Co2（DAT）5（H2O）3（TNR）2 was more sensitive than Zn2（DAT）5（H2O）3（TNR）2.
基金Supported by the National Natural Science Foundation of China(No.21203160)Education Department Foundation of Shaanxi Province(No.12JK0631)+1 种基金Natural Science Foundation of Shaanxi Province(No.2013JM2013)Special Research Fund of Xianyang Normal University(No.11XSYK204,11XSYK205,12XSYK023)
文摘A novel cuprous azide complex with the formula of [Cu2（dmpz）（N3）2]n（1, dmpz： 2,6-dimethylpyrazine） has been synthesized through hydrothermal synthesis with the reducibility of H3PO3 and structurally characterized by single-crystal X-ray diffraction method. Single-crystal X-ray diffraction analysis reveals the title complex represents a three-dimensional network structure featuring 2D [Cu N3]n plane units bridged by bridging dmpz ligands to form a 3D network. Research results reveal that 1 has lower impact sensitivity and friction sensitivity, which may be expected to become insensitive energetic material and have potential applications. Crystal data： monoclinic, space group C2/c, a = 17.8599（15）, b = 8.2889（5）, c = 14.8076（14） A, β = 113.2580（10）o, V = 2014.0（3） A3, Z = 8, S = 1.025, the final R = 0.0303, w R = 0.0825 for 1460 observed reflections with I 2σ（I） and R = 0.0386, wR = 0.0870 for all reflections. In addition, elemental analysis, IR, and sensitivity characterization are presented.
基金Supported by the National Natural Science Foundation of China (10776002)State Key Laboratory of Science and Technology (No. ZDKT12-03 & QNKT11-06)the Program for New Century Excellent Talents in University (NCET-09-0051)
文摘A new energetic complex [Hg（DAT）Cl2]n was synthesized by the reaction of 1,5-diaminotetrazole with mercury bichloride and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system with P21/c space group, and a = 4.0342（3）, b = 17.7999（12）, c = 10.0127（7） , β = 91.558（1）°, V = 718.73（9） 3, Z = 4, CH4Cl2HgN6, Mr = 371.59, Dc = 3.434 g·cm-3, F（000） = 664, S = 1.037, the final R = 0.0223 and wR = 0.0642 for 1646 observed reflections with Ⅰ 〉 2σ（Ⅰ）. The central Hg is coordinated by one N atom from 1,5-diaminotetrazole and one mono-dentate terminal chloride and two bi-dentate bridging chloride ligands. Adjacent Hg cations were connected by the bi-dentate Cl to form a 1D zigzag supramolecular chain along the a-axis.
基金support from the Ministry of Education(MOE) Singapore Tier 1 (RG8/20)。
文摘A large database is desired for machine learning(ML) technology to make accurate predictions of materials physicochemical properties based on their molecular structure.When a large database is not available,the development of proper featurization method based on physicochemical nature of target proprieties can improve the predictive power of ML models with a smaller database.In this work,we show that two new featurization methods,volume occupation spatial matrix and heat contribution spatial matrix,can improve the accuracy in predicting energetic materials' crystal density(ρ_(crystal)) and solid phase enthalpy of formation(H_(f,solid)) using a database containing 451 energetic molecules.Their mean absolute errors are reduced from 0.048 g/cm~3 and 24.67 kcal/mol to 0.035 g/cm~3 and 9.66 kcal/mol,respectively.By leave-one-out-cross-validation,the newly developed ML models can be used to determine the performance of most kinds of energetic materials except cubanes.Our ML models are applied to predict ρ_(crystal) and H_(f,solid) of CHON-based molecules of the 150 million sized PubChem database,and screened out 56 candidates with competitive detonation performance and reasonable chemical structures.With further improvement in future,spatial matrices have the potential of becoming multifunctional ML simulation tools that could provide even better predictions in wider fields of materials science.
基金supported by the opening project of State Key Laboratory of Explosion Science and Technology (Beijing Institute of Technology,No.KFJJ10-7M)Key Project of Inner Mongolia University of Technology(No. ZD200806)
文摘Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing two nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structure of DNBPDC（DNBPDC=2,2＇- dinitro-4,4＇-biphenyldicarboxylic acid） was determined by X-ray single crystal diffraction and the thermal decomposition was carried out through DSC and TG-DTG analyses.
基金financial support and the necessary facilities for this study by the Ecole Militaire polytechnique and the Ludwig-Maximilian University of Munich(LMU)。
文摘In this research,a promising class of insensitive and high-energy dense biopolymers,which contain nitrogen-rich 1H-tetrazol-1-yl acetate and nitrate ester functional groups,was successfully synthesized through tetrazole derivatization and nitration of cellulose and its micro-sized derivative(TNCN and TCMCN).Their molecular structures,physicochemical properties,thermal behaviors,mechanical sensitivities and detonation performances were studied and compared to those of the corresponding nitrocellulose and nitrated micro-sized cellulose(NCN and CMCN).The developed energetic TNCN and TCMCN exhibited insensitive character with excellent features such as density of 1.710 g/cm3and 1.726 g/cm3,nitrogen content of 20.95%and 22.59%,and detonation velocity of 7552 m/s and 7786 m/s,respectively,and thereby demonstrate their potential applications as new generation of energetic biopolymers to substitute the common NCN.Furthermore,thermal results showed that the designed nitrated and chemical modified cellulosic biopolymers displayed good thermal stability with multistep decomposition mechanism.These results enrich future prospects for the design of promising insensitive and high-energy dense cellulose-rich materials and commence a new chapter in this field.
文摘Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ray diffraction with the following data: C6H6N10O3, monoclinic, P21/n, Z = 4, a = 8.402(3), b = 15.146(3), c = 9.247(3) ? ?= 111.09(2)? V = 1098.0(6) 3, Mr = 266.18, Dc = 1.610 g/cm3, F(000) = 544, ?=1.34 cm-1, R = 0.037 and wR = 0.044 for 2136 observed reflections (I > 2(I)). Intra- and inter-molecular hydrogen bonds were identified between the O and H atoms of two intramolecular acetylamino groups and two intermolecular acetylamino groups, respectively.
