The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-cr...The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854（3） ,b = 17.2678（4） ,c = 18.1828（5）A,β = 99.364（2） °,V = 4332.58（18） A^3,Z = 4,Dc = 1.338,F（000） =1824,μ = 0.185 mm^-1,MoKa radiation（λ = 0.71073） ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ（I） . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5（1H） -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.展开更多
A new one-dimensional Ni（Ⅱ） coordination polymer [Ni（L）（cis-1,4- chdc）]n·1.25nH2O has been synthesized under hydrothermal conditions by using 1,4-cyclohexanedicarboxylic acid （1,4-H2chdc） and 2-（3-fluor...A new one-dimensional Ni（Ⅱ） coordination polymer [Ni（L）（cis-1,4- chdc）]n·1.25nH2O has been synthesized under hydrothermal conditions by using 1,4-cyclohexanedicarboxylic acid （1,4-H2chdc） and 2-（3-fluorophenyl）- 1H-imidazo [4,5-f] [ 1,10]phenanthroline （L）. Crystallographic data for the compound： triclinic, space group Pi with a = 8.777（2）, b = 10.662（2）, c = 13.799（3） A, a = 89.480（4）, β = 73,933（3）, γ = 81.980（4）°, V = 1228.2（5） A3, Z = 2, C27H22.50FN4NiO5.25, Mr = 568.70, Dc = 1.527 g/cm3, F（000） = 583,μ（MoKα） = 0.846 mm-1, R = 0.0634 and wR = 0.1465. Neighboring Ni（Ⅱ） atoms are linked by the cis-1,4-chdc ligands to generate a one-dimensional chain structure. The π-π interactions between the L ligands of neighboring chains led to the formation of a two-dimensional supramolecular layer. The elemental analysis, IR spectrum and TG of the compound have been studied.展开更多
基金Supported by the Natural Science Foundation of Hubei Province (2006ABB016)Key Science Research Project of Hubei Provincial Department of Education (No.D200724001)the Science Research Project of Yunyang Medical College (No.2008CXG01)
文摘The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854（3） ,b = 17.2678（4） ,c = 18.1828（5）A,β = 99.364（2） °,V = 4332.58（18） A^3,Z = 4,Dc = 1.338,F（000） =1824,μ = 0.185 mm^-1,MoKa radiation（λ = 0.71073） ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ（I） . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5（1H） -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.
基金Supported by the Institute Foundation of Siping City (No. 2009011)
文摘A new one-dimensional Ni（Ⅱ） coordination polymer [Ni（L）（cis-1,4- chdc）]n·1.25nH2O has been synthesized under hydrothermal conditions by using 1,4-cyclohexanedicarboxylic acid （1,4-H2chdc） and 2-（3-fluorophenyl）- 1H-imidazo [4,5-f] [ 1,10]phenanthroline （L）. Crystallographic data for the compound： triclinic, space group Pi with a = 8.777（2）, b = 10.662（2）, c = 13.799（3） A, a = 89.480（4）, β = 73,933（3）, γ = 81.980（4）°, V = 1228.2（5） A3, Z = 2, C27H22.50FN4NiO5.25, Mr = 568.70, Dc = 1.527 g/cm3, F（000） = 583,μ（MoKα） = 0.846 mm-1, R = 0.0634 and wR = 0.1465. Neighboring Ni（Ⅱ） atoms are linked by the cis-1,4-chdc ligands to generate a one-dimensional chain structure. The π-π interactions between the L ligands of neighboring chains led to the formation of a two-dimensional supramolecular layer. The elemental analysis, IR spectrum and TG of the compound have been studied.
