Crystal　Structure　of　3－hydroxyl－1，5－diazacycloheptane　Dihydrobromide　C_5H_（12）N_2O·2HBr  

作　　者：LIU Yong XUE Guo-Ping WU Cheng-Tai(Department of Chemistry, Wuhan University, Wuhan,430072)LUO Bao-Sheng CHEN Liao-Rong(Centre of Analysis and Testing,Wuhan University, Wuhan, 430072) 

出　　处：《Chinese Journal of Structural Chemistry》1996年第5期371-373,共3页结构化学（英文）

摘　　要：Crystal structure of the title compound C5H12N2O·2HBr has been determined by X-ray diffraction method.The crystallographic data are as follows: Mr=278.00,orthorhombic,space group P212121,a=7.726(3),b=9.337(1),c=12.702(2)A,V=916.3(7) A3, Z=4,Dc=2.015g.cm-3,μ=87. 084 cm-1(MoKa),F(000)=634.6,R=0.078,Rw=0. 099 for 1169 observed reflections with I≥3σ(I) It is confirmed by the determination that the conformation of the title compound is rather like a crown than regular chair or boat form.Crystal structure of the title compound C5H12N2O·2HBr has been determined by X-ray diffraction method.The crystallographic data are as follows: Mr=278.00,orthorhombic,space group P212121,a=7.726(3),b=9.337(1),c=12.702(2)A,V=916.3(7) A3, Z=4,Dc=2.015g.cm-3,μ=87. 084 cm-1(MoKa),F(000)=634.6,R=0.078,Rw=0. 099 for 1169 observed reflections with I≥3σ(I) It is confirmed by the determination that the conformation of the title compound is rather like a crown than regular chair or boat form.

关 键 词：crystal structure mesocyclic diamine free ligand 

分 类 号：O624.6[理学—有机化学] O76[理学—化学]