As a nitrogen-rich energetic materials,2,6-diamino-3,5-dinitropyrazine(ANPZ) was synthesized by reaction of 2,6-dialkoxylation-3,5-dinitropyrazine(DMDNP) and ammonia with acetonitrile as solvent.Its molecular structur...As a nitrogen-rich energetic materials,2,6-diamino-3,5-dinitropyrazine(ANPZ) was synthesized by reaction of 2,6-dialkoxylation-3,5-dinitropyrazine(DMDNP) and ammonia with acetonitrile as solvent.Its molecular structure was characterized by IR,MS,NMR and elemental analysis The single crystal of ANPZ·DMSO(1∶1) was obtained using DMSO(dimethy1 sulphoxide) as solvent.The structure of ANPZ·DMSO(1∶1) was characterized by four-circle single crystal X-ray diffraction.The results show that the crystal of ANPZ·DMSO(1∶1) belongs to triclinic system,space group P-1 with a=5.9387(19),b=8.192(3),c=12.028(3),α=98.56(2)°,β=93.74(2)°,y=94.86(3)°,V=574.7(3)3,Z=2;Dc=1.608g/cm3,μ=0.309mm-1,F(000)=288.μ(MoKα)=0.960mm-1,R1=0.0403,wR2=0.0871.展开更多
Tetranuclear Cu(I)complex,Cu4(imdt)(NO3)4.6H2O(imdt=1,3-imidazolidine-2-thione),was synthesized by areaction of Cu(NO3)2with imdt in water.It crystallizes in monoclinic crystal system,space group C2/c(No.15),with a =3...Tetranuclear Cu(I)complex,Cu4(imdt)(NO3)4.6H2O(imdt=1,3-imidazolidine-2-thione),was synthesized by areaction of Cu(NO3)2with imdt in water.It crystallizes in monoclinic crystal system,space group C2/c(No.15),with a =3.1418(3)nm,b =0.94332(6) nm,c =2.3027(2) nm,β=119.773(3)°,V =5.9236(9) nm3,Z =4,Mr=1529.68.mol-1,Dc.=1.715g.cm-3,μ=1.815 mm-1,F(000) =3144,R1=0.028,wR2=0.065.The crystal structure consists of tetranuclear[Cu4(imdt)9]4 +cation,in which Cu(I)is coordinated with four S atoms from four imdt ligands to form a distorted tetrahedral geometryand imdt ligands exhibit three coordination modes of terminal monodentate S-donating andμ2—S andμ4—S bridging coordina-tion.展开更多
The new complex formulated [Ni（phen）2（H2O）2][Ni（DPC）2]·6H2O·1/2CH3OH（phem=1,10-phenanth-roline,DpC=pyridine-2,6-dicarboxylate）have been sythesized and the crystal structure was determined by X-ray di...The new complex formulated [Ni（phen）2（H2O）2][Ni（DPC）2]·6H2O·1/2CH3OH（phem=1,10-phenanth-roline,DpC=pyridine-2,6-dicarboxylate）have been sythesized and the crystal structure was determined by X-ray diffraction.The crystal structure of the complex belongs to triclinic system with space group pi,a=10.0870,c=14.934（2）,α=74.050（10）°,β=78.580（10）°,γ=75.210（10）°,V=2023.1（4）3,Z=2,F（000）=1002,S=1.052,Dc=1.589g·cm-3,μ=1.014-1.R[I>2σ（I）]:R1=0.0288,wR2=0.719;R（all data）:R1=0.0378,wR2=0.0744,w=1/[σ2（F20）+（0.0427P）2].There is a three-dimensional network structure through hydrogen bonding interactions in the complex.The TG-IR of the complex has been determined and the related properties of the complex have been discussed.展开更多
Reaction of 2,4-di-Eert-butyl-phenol,ethylenediamine and formaldehyde （37% solution in water）in 2:1:5molar ratio in methanol afforded the 1,2-bis[3-（6,8-di-tert-butyl-3,4-dihydro-2[H]-1,3-benzoxazine）-yl]ethane in...Reaction of 2,4-di-Eert-butyl-phenol,ethylenediamine and formaldehyde （37% solution in water）in 2:1:5molar ratio in methanol afforded the 1,2-bis[3-（6,8-di-tert-butyl-3,4-dihydro-2[H]-1,3-benzoxazine）-yl]ethane in high yields.This compound was fully characterized by elemental analysis,1H NMR,MS,and IR spectroscopies.The crystal structure of the title compound was determined by X-ray diffraction method.It crystallizes in triclinic,space group P（1）,a=0.5727（2）,b=0.9268（3）,c=1.4666（4）nm,a=88.12（1）°,β=88.54（1）°,γ=80.82（1）°,V=0.7679（4）nm3,Z=1,DC=1.126Mg·m-3,F（000）=286,μ（MoKα）=0.69cm-1,R=0.048,wR=0.140.This compound had a centrosymmetrical structure.展开更多
文摘As a nitrogen-rich energetic materials,2,6-diamino-3,5-dinitropyrazine(ANPZ) was synthesized by reaction of 2,6-dialkoxylation-3,5-dinitropyrazine(DMDNP) and ammonia with acetonitrile as solvent.Its molecular structure was characterized by IR,MS,NMR and elemental analysis The single crystal of ANPZ·DMSO(1∶1) was obtained using DMSO(dimethy1 sulphoxide) as solvent.The structure of ANPZ·DMSO(1∶1) was characterized by four-circle single crystal X-ray diffraction.The results show that the crystal of ANPZ·DMSO(1∶1) belongs to triclinic system,space group P-1 with a=5.9387(19),b=8.192(3),c=12.028(3),α=98.56(2)°,β=93.74(2)°,y=94.86(3)°,V=574.7(3)3,Z=2;Dc=1.608g/cm3,μ=0.309mm-1,F(000)=288.μ(MoKα)=0.960mm-1,R1=0.0403,wR2=0.0871.
文摘Tetranuclear Cu(I)complex,Cu4(imdt)(NO3)4.6H2O(imdt=1,3-imidazolidine-2-thione),was synthesized by areaction of Cu(NO3)2with imdt in water.It crystallizes in monoclinic crystal system,space group C2/c(No.15),with a =3.1418(3)nm,b =0.94332(6) nm,c =2.3027(2) nm,β=119.773(3)°,V =5.9236(9) nm3,Z =4,Mr=1529.68.mol-1,Dc.=1.715g.cm-3,μ=1.815 mm-1,F(000) =3144,R1=0.028,wR2=0.065.The crystal structure consists of tetranuclear[Cu4(imdt)9]4 +cation,in which Cu(I)is coordinated with four S atoms from four imdt ligands to form a distorted tetrahedral geometryand imdt ligands exhibit three coordination modes of terminal monodentate S-donating andμ2—S andμ4—S bridging coordina-tion.
文摘The new complex formulated [Ni（phen）2（H2O）2][Ni（DPC）2]·6H2O·1/2CH3OH（phem=1,10-phenanth-roline,DpC=pyridine-2,6-dicarboxylate）have been sythesized and the crystal structure was determined by X-ray diffraction.The crystal structure of the complex belongs to triclinic system with space group pi,a=10.0870,c=14.934（2）,α=74.050（10）°,β=78.580（10）°,γ=75.210（10）°,V=2023.1（4）3,Z=2,F（000）=1002,S=1.052,Dc=1.589g·cm-3,μ=1.014-1.R[I>2σ（I）]:R1=0.0288,wR2=0.719;R（all data）:R1=0.0378,wR2=0.0744,w=1/[σ2（F20）+（0.0427P）2].There is a three-dimensional network structure through hydrogen bonding interactions in the complex.The TG-IR of the complex has been determined and the related properties of the complex have been discussed.
文摘Reaction of 2,4-di-Eert-butyl-phenol,ethylenediamine and formaldehyde （37% solution in water）in 2:1:5molar ratio in methanol afforded the 1,2-bis[3-（6,8-di-tert-butyl-3,4-dihydro-2[H]-1,3-benzoxazine）-yl]ethane in high yields.This compound was fully characterized by elemental analysis,1H NMR,MS,and IR spectroscopies.The crystal structure of the title compound was determined by X-ray diffraction method.It crystallizes in triclinic,space group P（1）,a=0.5727（2）,b=0.9268（3）,c=1.4666（4）nm,a=88.12（1）°,β=88.54（1）°,γ=80.82（1）°,V=0.7679（4）nm3,Z=1,DC=1.126Mg·m-3,F（000）=286,μ（MoKα）=0.69cm-1,R=0.048,wR=0.140.This compound had a centrosymmetrical structure.
