Structure Study on N-Phenyl-2-deoxy-D-ribopyranosylamine  

作　　者：宋志伟 李明海 成昌梅 陈朗秋 郭晓强 王如骥 吴国是 赵玉芬 

机构地区：[1]College of Chemistry, Xiangtan University [2]Tianjin Longqing (Group) Co. Ltd, Changjiang Road 26, Nankai District [3]Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology, Ministry of Education, Department of Chemistry, School of Life Sciences and Engineering, Tsinghua University

出　　处：《Chinese Journal of Structural Chemistry》2007年第12期1476-1480,共5页结构化学（英文）

基　　金：Project supported by the National Natural Science Foundation of China (No. 20132020)

摘　　要：The title compound N-phenyl-2-deoxy-D-ribopyranosylamine featuring a single conformation and pyranose-ring has been synthesized and characterized by NMR spectrum and X-ray diffraction. X-ray crystal structure analysis shows that its crystal belongs to the monoclinic system, space group P21 with a = 6.5375（9）, b = 7.7140（9）, c = 10.7865（16）A, β= 97.578（11）^o, Z = 2, V= 539.22（13）A^3, Dc = 1.289 g/cm^3, F（000） = 224, μ（MoKa） --- 4.533 mm^-1, R = 0.0305 and wR = 0.0639 for 1093 observed reflections （I 〉 2σ（I）. This compound exists as a-conformation and ^1C4 chair-like configuration.The title compound N-phenyl-2-deoxy-D-ribopyranosylamine featuring a single conformation and pyranose-ring has been synthesized and characterized by NMR spectrum and X-ray diffraction. X-ray crystal structure analysis shows that its crystal belongs to the monoclinic system, space group P21 with a = 6.5375（9）, b = 7.7140（9）, c = 10.7865（16）A, β= 97.578（11）^o, Z = 2, V= 539.22（13）A^3, Dc = 1.289 g/cm^3, F（000） = 224, μ（MoKa） --- 4.533 mm^-1, R = 0.0305 and wR = 0.0639 for 1093 observed reflections （I 〉 2σ（I）. This compound exists as a-conformation and ^1C4 chair-like configuration.

关 键 词：N-phenyl-2-deoxy-D-ribopyranosylamine quantum chemical calculation Chair-conformation X-ray crystal structure 

分 类 号：O621.2[理学—有机化学]