Crystal Structures and Antimicrobial Activity of Two Phosphorus Compounds  

作　　者：SHEN Xiao-Qing LIU Hong-Lei ZHANG Hong-Yun ZHANG Hong-Quan MAO Hong-Yan WU Qing-An ZHU Yu HOU Hong-Wei 

机构地区：[1]Department of Chemistry, Zhengzhou University, Zhengzhou 450052, China [2]College of Public Health, Zhengzhou University, Zhengzhou 450052, China

出　　处：《Chinese Journal of Structural Chemistry》2005年第10期1211-1216,共6页结构化学（英文）

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)

摘　　要：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.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.

关 键 词：Lawesson＇s reagent ring-closure reaction PHOSPHORUS crystal structure 

分 类 号：O613.62[理学—无机化学]