The title compound 5-chloro-2-（（（5-（1-methyl-3-（trifluoromethyl）-1H-pyrazol-4-yl）- 4-phenyl-4H-1,2,4-triazol-3-yl）thio）methyl）thiazole （C17H12ClF3N6S2） was synthesized, and its structure was confirmed by 1...The title compound 5-chloro-2-（（（5-（1-methyl-3-（trifluoromethyl）-1H-pyrazol-4-yl）- 4-phenyl-4H-1,2,4-triazol-3-yl）thio）methyl）thiazole （C17H12ClF3N6S2） was synthesized, and its structure was confirmed by 1H NMR, 13C NMR, HRMS and X-ray diffraction. It crystallizes in the triclinic system, space group P with a = 8.214（5）, b = 10.188（6）, c = 12.378（7） , α = 81.679（8）, β = 87.994（8）, γ = 70.351（8）°, Dc = 1.572 g/cm3, Z = 2, V = 965.2（9） ？3, the final R = 0.0591 and wR = 0.1113 for 3005 observed reflections with I 〉 2σ（I）. The preliminary biological test shows that the title compound possesses good herbicidal activities （80%） against rape at 200 μg/mL.展开更多
One novel spiro-compound（C_（26）H_（21）NO_3） has been synthesized and characterized by means of NMR spectroscopy,elemental analyses and X-ray diffraction. The single crystal belongs to the monoclinic system,space ...One novel spiro-compound（C_（26）H_（21）NO_3） has been synthesized and characterized by means of NMR spectroscopy,elemental analyses and X-ray diffraction. The single crystal belongs to the monoclinic system,space group P21/c with a = 8.8039（7）,b = 24.123（2）,c = 10.0751（9） ？,β = 108.403（3）°,M3r = 395.44,V = 2030.3（3） ？~3,Z = 4,D_c = 1.294 g/cm,F（000） = 832.0,μ = 0.085 mm^（-1）,R = 0.0801 and wR = 0.2228. The title compound shows good activities against Micrococcus tetragenus,Bacillus cereus,Bacillus subtilis,Staphylococcus aureus,S.albus and Escherichia coli.展开更多
The title compound C（15）H（14）N4OS·H<sub>2</sub>O crystallizes in the monoclinic system, space group P21/a, with a=8. 733（3） , b= 16. 731 （4） , c=10. 476（4） A,β= 95. 41（3） °, V = 1523...The title compound C（15）H（14）N4OS·H<sub>2</sub>O crystallizes in the monoclinic system, space group P21/a, with a=8. 733（3） , b= 16. 731 （4） , c=10. 476（4） A,β= 95. 41（3） °, V = 1523. 7（8） A￣3, D<sub>c</sub>=1. 38 g/cm￣3, Z = 4,Mr= 316. 38,λ（MoKα） = 0. 71069 A, F（000） = 664,μ= 2.14 cm-1, T= 296K. Final R=0. 054,and Rω=0.063 for 1279 reflections with I≥3σ（I）. The parent structure of the molecule is a distorted six-membered ring. The effect of the steric hindrance between the two phenyls on the conjugate interactions in the heterocyclic ring has been discussed.展开更多
Two heterocyclic Schiff bases were synthesized via the condensation reactions of primary amines with carbonyl compounds. 2-[（4-pyridylmethylene）-amino] phenol （compound 1） was synthesized by the interaction of 4-p...Two heterocyclic Schiff bases were synthesized via the condensation reactions of primary amines with carbonyl compounds. 2-[（4-pyridylmethylene）-amino] phenol （compound 1） was synthesized by the interaction of 4-pyridinecarboxaldehyde with o-aminophenol in ethanol solvent; N,N＇-bis（3-（furan-2-yl）allylidene）benzene-1,4-diamin （compound 2） was synthesized by the interaction of 3-（2-furyl）acrolein with p-phenylenediamine in ethanol medium. The compounds were characterized by elemental analysis, IR, MS and single-crystal X-ray diffraction. Compound 1 （C12H10N2O） crystallizes in the monoclinic system, space group P21/c with α = 7.0771（7）, b = 7.2820（7）, c = 19.849（2）, b = 96.3390（10）°, V = 1016.66（17） ？3, Z = 4, Mr = 198.22, Dc = 1.295 g/cm3, F（000） = 416, GOOF = 1.060, m = 0.085 mm-1, the final R = 0.0371 and wR = 0.0929 for 1497 observed reflections with I 〉 2σ（I）. Compound 2 （C20H16N2O2） crystallizes in the orthorhombic system, space group Fdd2 with α = 26.344（15）, b = 48.50（3）, c = 5.293（3）, V = 6764（7） ？3, Z = 16, Mr = 316.35, Dc = 1.243 g/cm3, F（000） = 2656, GOOF = 1.043, m = 0.081 mm-1, the final R = 0.0526 and wR = 0.1267 for 2059 observed reflections with I 〉 2σ（I）. 1 and 2 molecules are connected through hydrogen bonds to generate a 2D network and a 1D chain structure, respectively. The preliminary antibacterial activity results showed that the title compounds display excellent antibacterial activities to Escherichia coli, Staphylococcus aureus and Bacillus subtilis.展开更多
A novel spiro-compound（C20 H15 N2 O3 P） has been synthesized and characterized by means of IR and 1H NMR. Its crystal structure was determined by X-ray diffractometry. The crystal belongs to the monoclinic system, s...A novel spiro-compound（C20 H15 N2 O3 P） has been synthesized and characterized by means of IR and 1H NMR. Its crystal structure was determined by X-ray diffractometry. The crystal belongs to the monoclinic system, space group P21 /c with a = 9.1628（7）, b = 12.9490（7）, c = 15.7898（11）, β = 103.952（8）o, Mr = 36.08, V = 1818.2（2）3, Z = 4, Dc = 1.382 g/cm3, F（000） = 788, μ = 0.179 mm-1, R = 0.0701 and wR = 0.1513. The preliminary biological test showed that the title compound has activities against Escherichia coli, S.albus, Bacillus subtilis, Staphylocc- ocusaureus and Micrococcus tetragenus with MIC to be 0.038, 0.038, 0.075, 2.48, and 0.15 mg/mL, respectively.展开更多
Fifteen novel N-sulfonyl aromatic amide derivatives were designed and synthesized, and the structures were characterized by 1H-and 13C-NMR, EA and HRMS. The crystal structures of compounds I-8 and I-9 were obtained fr...Fifteen novel N-sulfonyl aromatic amide derivatives were designed and synthesized, and the structures were characterized by 1H-and 13C-NMR, EA and HRMS. The crystal structures of compounds I-8 and I-9 were obtained from X-ray diffraction: I-8 is of triclinic system, Mr = 372.35, space group P2_(1/n) with a = 7.9151(10), b = 8.5637(11), c = 12.2022(15) A, β = 86.865(2)o, V = 807.09(18) A^(3), Z = 2, F(000) = 384, D_(c) = 1.532 g/cm^(3), the final R = 0.0408 and wR = 0.1068 for 2836 unique reflections with 2435 observed ones(I > 2σ(I)). I-9 belongs to triclinic system, M_r = 407.39, space group P2_1/n, with a = 8.4911(8), b = 8.6053(9), c = 14.5808(15) A, β = 77.1190(10)o, V = 995.44(17)A^(3), Z = 2, F(000) = 416, D_(c) = 1.359 g/cm^(3), the final R = 0.0567 and wR = 0.1779 for 3475 unique reflections with 2392 observed ones(I > 2σ(I)). The preliminary bioassay results indicated that the target compounds showed weak nematicidal activity, while compound I-5 displayed good fungicidal activity against Colletotrichum capsici with the inhibition rate of 61.7%.展开更多
Two new two-dimensional frameworks based on packing of square grids, Cu（Me4bpz）2（NO3）2 （1） and Zn（Me4bpz）（SO4） （2） （Me4bpz=3,Y,5,5＇-tetramethyl-4,4＇-bipyrazole）, have been synthesized by mild solvother...Two new two-dimensional frameworks based on packing of square grids, Cu（Me4bpz）2（NO3）2 （1） and Zn（Me4bpz）（SO4） （2） （Me4bpz=3,Y,5,5＇-tetramethyl-4,4＇-bipyrazole）, have been synthesized by mild solvothermal method. In addition to the major metal-organic linker coordination, they allow us to study how the metal-inorganic anion coordination and organic linker-inorganic anion hydrogen bonding affect the resulting structures during the framework assembly.展开更多
基金funded by Zhejiang Provincial Science Foundation of China(No.LY16C140007)
文摘The title compound 5-chloro-2-（（（5-（1-methyl-3-（trifluoromethyl）-1H-pyrazol-4-yl）- 4-phenyl-4H-1,2,4-triazol-3-yl）thio）methyl）thiazole （C17H12ClF3N6S2） was synthesized, and its structure was confirmed by 1H NMR, 13C NMR, HRMS and X-ray diffraction. It crystallizes in the triclinic system, space group P with a = 8.214（5）, b = 10.188（6）, c = 12.378（7） , α = 81.679（8）, β = 87.994（8）, γ = 70.351（8）°, Dc = 1.572 g/cm3, Z = 2, V = 965.2（9） ？3, the final R = 0.0591 and wR = 0.1113 for 3005 observed reflections with I 〉 2σ（I）. The preliminary biological test shows that the title compound possesses good herbicidal activities （80%） against rape at 200 μg/mL.
基金Project supported by the Natural Science Foundation of Hainan Province(No.20162033)the Cultivation Research Foundation of Hainan Medical University(HY2015-02)
文摘One novel spiro-compound（C_（26）H_（21）NO_3） has been synthesized and characterized by means of NMR spectroscopy,elemental analyses and X-ray diffraction. The single crystal belongs to the monoclinic system,space group P21/c with a = 8.8039（7）,b = 24.123（2）,c = 10.0751（9） ？,β = 108.403（3）°,M3r = 395.44,V = 2030.3（3） ？~3,Z = 4,D_c = 1.294 g/cm,F（000） = 832.0,μ = 0.085 mm^（-1）,R = 0.0801 and wR = 0.2228. The title compound shows good activities against Micrococcus tetragenus,Bacillus cereus,Bacillus subtilis,Staphylococcus aureus,S.albus and Escherichia coli.
文摘The title compound C（15）H（14）N4OS·H<sub>2</sub>O crystallizes in the monoclinic system, space group P21/a, with a=8. 733（3） , b= 16. 731 （4） , c=10. 476（4） A,β= 95. 41（3） °, V = 1523. 7（8） A￣3, D<sub>c</sub>=1. 38 g/cm￣3, Z = 4,Mr= 316. 38,λ（MoKα） = 0. 71069 A, F（000） = 664,μ= 2.14 cm-1, T= 296K. Final R=0. 054,and Rω=0.063 for 1279 reflections with I≥3σ（I）. The parent structure of the molecule is a distorted six-membered ring. The effect of the steric hindrance between the two phenyls on the conjugate interactions in the heterocyclic ring has been discussed.
基金Supported by the Natural Science Foundation of China(No.21264011,20961007)
文摘Two heterocyclic Schiff bases were synthesized via the condensation reactions of primary amines with carbonyl compounds. 2-[（4-pyridylmethylene）-amino] phenol （compound 1） was synthesized by the interaction of 4-pyridinecarboxaldehyde with o-aminophenol in ethanol solvent; N,N＇-bis（3-（furan-2-yl）allylidene）benzene-1,4-diamin （compound 2） was synthesized by the interaction of 3-（2-furyl）acrolein with p-phenylenediamine in ethanol medium. The compounds were characterized by elemental analysis, IR, MS and single-crystal X-ray diffraction. Compound 1 （C12H10N2O） crystallizes in the monoclinic system, space group P21/c with α = 7.0771（7）, b = 7.2820（7）, c = 19.849（2）, b = 96.3390（10）°, V = 1016.66（17） ？3, Z = 4, Mr = 198.22, Dc = 1.295 g/cm3, F（000） = 416, GOOF = 1.060, m = 0.085 mm-1, the final R = 0.0371 and wR = 0.0929 for 1497 observed reflections with I 〉 2σ（I）. Compound 2 （C20H16N2O2） crystallizes in the orthorhombic system, space group Fdd2 with α = 26.344（15）, b = 48.50（3）, c = 5.293（3）, V = 6764（7） ？3, Z = 16, Mr = 316.35, Dc = 1.243 g/cm3, F（000） = 2656, GOOF = 1.043, m = 0.081 mm-1, the final R = 0.0526 and wR = 0.1267 for 2059 observed reflections with I 〉 2σ（I）. 1 and 2 molecules are connected through hydrogen bonds to generate a 2D network and a 1D chain structure, respectively. The preliminary antibacterial activity results showed that the title compounds display excellent antibacterial activities to Escherichia coli, Staphylococcus aureus and Bacillus subtilis.
基金Project supported by the National Natural Science Foundation of China(No.21162008)
文摘A novel spiro-compound（C20 H15 N2 O3 P） has been synthesized and characterized by means of IR and 1H NMR. Its crystal structure was determined by X-ray diffractometry. The crystal belongs to the monoclinic system, space group P21 /c with a = 9.1628（7）, b = 12.9490（7）, c = 15.7898（11）, β = 103.952（8）o, Mr = 36.08, V = 1818.2（2）3, Z = 4, Dc = 1.382 g/cm3, F（000） = 788, μ = 0.179 mm-1, R = 0.0701 and wR = 0.1513. The preliminary biological test showed that the title compound has activities against Escherichia coli, S.albus, Bacillus subtilis, Staphylocc- ocusaureus and Micrococcus tetragenus with MIC to be 0.038, 0.038, 0.075, 2.48, and 0.15 mg/mL, respectively.
基金supported by the National Natural Science Foundation of China(32001929)the Natural Science Foundation of Shandong Province(ZR2017BC053)the Innovation and Entrepreneurship Training Program for College Students of Liaocheng University(CXCY2020Y116)。
文摘Fifteen novel N-sulfonyl aromatic amide derivatives were designed and synthesized, and the structures were characterized by 1H-and 13C-NMR, EA and HRMS. The crystal structures of compounds I-8 and I-9 were obtained from X-ray diffraction: I-8 is of triclinic system, Mr = 372.35, space group P2_(1/n) with a = 7.9151(10), b = 8.5637(11), c = 12.2022(15) A, β = 86.865(2)o, V = 807.09(18) A^(3), Z = 2, F(000) = 384, D_(c) = 1.532 g/cm^(3), the final R = 0.0408 and wR = 0.1068 for 2836 unique reflections with 2435 observed ones(I > 2σ(I)). I-9 belongs to triclinic system, M_r = 407.39, space group P2_1/n, with a = 8.4911(8), b = 8.6053(9), c = 14.5808(15) A, β = 77.1190(10)o, V = 995.44(17)A^(3), Z = 2, F(000) = 416, D_(c) = 1.359 g/cm^(3), the final R = 0.0567 and wR = 0.1779 for 3475 unique reflections with 2392 observed ones(I > 2σ(I)). The preliminary bioassay results indicated that the target compounds showed weak nematicidal activity, while compound I-5 displayed good fungicidal activity against Colletotrichum capsici with the inhibition rate of 61.7%.
文摘Two new two-dimensional frameworks based on packing of square grids, Cu（Me4bpz）2（NO3）2 （1） and Zn（Me4bpz）（SO4） （2） （Me4bpz=3,Y,5,5＇-tetramethyl-4,4＇-bipyrazole）, have been synthesized by mild solvothermal method. In addition to the major metal-organic linker coordination, they allow us to study how the metal-inorganic anion coordination and organic linker-inorganic anion hydrogen bonding affect the resulting structures during the framework assembly.
