One phosphorus heterocycle compound 1, C13H13N2OPS, was synthesized by the reaction of Lawesson＇s reagent （LR） with o-phenylene diamine. The crystal belongs to the orthorhombic system, space group P212121 with a = ...One phosphorus heterocycle compound 1, C13H13N2OPS, was synthesized by the reaction of Lawesson＇s reagent （LR） with o-phenylene diamine. The crystal belongs to the orthorhombic system, space group P212121 with a = 5.5274（11）, b = 8.1603（16）, c = 28.830（6） A, V = 1300.4（4） A^3, Z = 4, Mr= 276.28, Dc = 1.411 g/cm^3, F（000） = 576,μ = 0.360 mm^-1, R = 0.0259 and wR = 0.0652 for 1414 observed reflections with I 〉 2σ（I）. While compound 2, C14H17N2O2PS, was obtained as a ring-cleavage product of compound 1. This crystal is of monoclinic system, space group P21/c with a = 9.5619（19）, b = 21.879（4）, c = 7.3618（15） A, β= 103.03（3）°, V=1500.4（5） A^3, Z = 4, Mr= 308.33, Dc = 1.365 g/cm^3, F（000） = 648,μ = 0.325 mm^-1, R = 0.0383 and wR =0.0742 for 2283 observed reflections with I 〉 2σ（I）. Phosphorus atom in each compound bonds with sulfur and carbon atoms using sp^3 hybrid orbitals, and crystals of these two compounds are formed and stabilized by intermolecular hydrogen bonds and Van der Waals＇ forces. The special structure of compound 1 leads to its good antimicrobial activity against staphylococcus aureus.展开更多
基金This work was supported by the National Natural Science Foundation of China (20271046), Natural Science Foundation of Henan Education Department (2004150004) and Natural Foundation of Henan Province (200011500027)
文摘One phosphorus heterocycle compound 1, C13H13N2OPS, was synthesized by the reaction of Lawesson＇s reagent （LR） with o-phenylene diamine. The crystal belongs to the orthorhombic system, space group P212121 with a = 5.5274（11）, b = 8.1603（16）, c = 28.830（6） A, V = 1300.4（4） A^3, Z = 4, Mr= 276.28, Dc = 1.411 g/cm^3, F（000） = 576,μ = 0.360 mm^-1, R = 0.0259 and wR = 0.0652 for 1414 observed reflections with I 〉 2σ（I）. While compound 2, C14H17N2O2PS, was obtained as a ring-cleavage product of compound 1. This crystal is of monoclinic system, space group P21/c with a = 9.5619（19）, b = 21.879（4）, c = 7.3618（15） A, β= 103.03（3）°, V=1500.4（5） A^3, Z = 4, Mr= 308.33, Dc = 1.365 g/cm^3, F（000） = 648,μ = 0.325 mm^-1, R = 0.0383 and wR =0.0742 for 2283 observed reflections with I 〉 2σ（I）. Phosphorus atom in each compound bonds with sulfur and carbon atoms using sp^3 hybrid orbitals, and crystals of these two compounds are formed and stabilized by intermolecular hydrogen bonds and Van der Waals＇ forces. The special structure of compound 1 leads to its good antimicrobial activity against staphylococcus aureus.
