The title compound 2-（1-（3-bromo-1-（3-chloropyridin-2-yl）-1H-pyrazole-5-carbonyl）piperidin-4-yl）-N-isopropylthiazole-4-carboxamide（C21H22Br Cl N6O2 S,Mr = 536.04） has been synthesized,and its structure was cha...The title compound 2-（1-（3-bromo-1-（3-chloropyridin-2-yl）-1H-pyrazole-5-carbonyl）piperidin-4-yl）-N-isopropylthiazole-4-carboxamide（C21H22Br Cl N6O2 S,Mr = 536.04） has been synthesized,and its structure was characterized by IR spectra,1H-NMR,13C-NMR,EA,and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic system,space group P/c with a = 15.146（3）,b = 11.573（2）,c = 26.937（5） A,β = 103.64（3）°,V = 1839.0（6） A^3,Z = 4,Dc = 1.557 g/cm^3,μ（Mo Ka） = 0.71073 mm^-1,F（000） = 2192,R = 0.0601 and w R = 0.1392.There exist one intramolecular hydrogen bond at N–H···N and four intermolecular weak interactions at O（2）···H（1）,Cl（1）···H（12）,O（1）···Cl（1） and S（1）···O（2）.Bioassay results indicated that the title compound had good fungicidal and antiviral activities against tobacco mosaic virus.展开更多
The title compound diethyl 2-（3,4-dichloroisothiazol-5-yl）-4-（trifluoromethyl）-4,5- dihydrothiazol-4-yl-3-methylbenzoate （C15H9C12F3N202S2, Mr = 441.26） was prepared from methyl 3,4-dichloroisothiazole-5-carboxy...The title compound diethyl 2-（3,4-dichloroisothiazol-5-yl）-4-（trifluoromethyl）-4,5- dihydrothiazol-4-yl-3-methylbenzoate （C15H9C12F3N202S2, Mr = 441.26） was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P2dc with a = 8.8437（18）, b = 16.128（3）, c = 12.305（3） A, β = 91.68（3）°, V= 1754.4（6） A3, Z = 4, Dc = 1.671 g/cm3,μ（MoKa） = 0,71073 mm^-1, F（000） = 888, R = 0.0384 and wR = 0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested.展开更多
The reaction of 1-phenacylimidazole with W（CO）6 in a 1：1 molar ratio under irradiation with a high-pressure Hg lamp mainly yielded the title compound （C29H26N4O7W, Mr = 726.39）, which is of orthorhombic, space gr...The reaction of 1-phenacylimidazole with W（CO）6 in a 1：1 molar ratio under irradiation with a high-pressure Hg lamp mainly yielded the title compound （C29H26N4O7W, Mr = 726.39）, which is of orthorhombic, space group Pbca with a = 27.665（4）, b = 7.7807（12）, c = 27.803（4） A, V = 5984.8（16）A^3, Z = 8, Dc = 1.612 g/cm^3, λ（MoKa） = 0.71073 A ,μ= 3.911 mm^-1, F（000） = 2864, R = 0.0583 and wR = 0.1502 for 3356 observed reflections （I 〉 2σ（I））. The crystal structural analysis indicates that in the coordination geometry of tungsten, 1-phenacylimidazole acts as a monodentate ligand and two imidazole ligands locate in a cis-position.展开更多
基金funded in part by the National Natural Science Foundation of China(21372132)NFFTBS(No.J1103306)
文摘The title compound 2-（1-（3-bromo-1-（3-chloropyridin-2-yl）-1H-pyrazole-5-carbonyl）piperidin-4-yl）-N-isopropylthiazole-4-carboxamide（C21H22Br Cl N6O2 S,Mr = 536.04） has been synthesized,and its structure was characterized by IR spectra,1H-NMR,13C-NMR,EA,and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic system,space group P/c with a = 15.146（3）,b = 11.573（2）,c = 26.937（5） A,β = 103.64（3）°,V = 1839.0（6） A^3,Z = 4,Dc = 1.557 g/cm^3,μ（Mo Ka） = 0.71073 mm^-1,F（000） = 2192,R = 0.0601 and w R = 0.1392.There exist one intramolecular hydrogen bond at N–H···N and four intermolecular weak interactions at O（2）···H（1）,Cl（1）···H（12）,O（1）···Cl（1） and S（1）···O（2）.Bioassay results indicated that the title compound had good fungicidal and antiviral activities against tobacco mosaic virus.
基金funded in part by the Tianjin Natural Science Foundation(No.14JCYBJC20400)the"111"Project of Ministry of Education of China(No.B06005)NFFTBS(No.J1103306)
文摘The title compound diethyl 2-（3,4-dichloroisothiazol-5-yl）-4-（trifluoromethyl）-4,5- dihydrothiazol-4-yl-3-methylbenzoate （C15H9C12F3N202S2, Mr = 441.26） was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P2dc with a = 8.8437（18）, b = 16.128（3）, c = 12.305（3） A, β = 91.68（3）°, V= 1754.4（6） A3, Z = 4, Dc = 1.671 g/cm3,μ（MoKa） = 0,71073 mm^-1, F（000） = 888, R = 0.0384 and wR = 0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested.
基金This work was supported by the National Natural Science Foundation of China (Nos. 20472037 and 20421202), the Ministry of Education (NCET-04-0227) and the Research Fund of Yibin University
文摘The reaction of 1-phenacylimidazole with W（CO）6 in a 1：1 molar ratio under irradiation with a high-pressure Hg lamp mainly yielded the title compound （C29H26N4O7W, Mr = 726.39）, which is of orthorhombic, space group Pbca with a = 27.665（4）, b = 7.7807（12）, c = 27.803（4） A, V = 5984.8（16）A^3, Z = 8, Dc = 1.612 g/cm^3, λ（MoKa） = 0.71073 A ,μ= 3.911 mm^-1, F（000） = 2864, R = 0.0583 and wR = 0.1502 for 3356 observed reflections （I 〉 2σ（I））. The crystal structural analysis indicates that in the coordination geometry of tungsten, 1-phenacylimidazole acts as a monodentate ligand and two imidazole ligands locate in a cis-position.
