Molecular and crystal structure of 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene

被引：0
|
作者：
Cai, YP
Kang, BS [1 ]
Su, CY
Zhang, HX
Yang, XP
Deng, LR
Xu, AW
Zhou, ZY
Chan, ASC
机构：
[1] Zhongshan Univ, Sch Chem & Chem Engn, Guangzhou 510275, Peoples R China
[2] Hong Kong Polytech Univ, Dept Appl Biol & Chem Technol, Kowloon, Hong Kong, Peoples R China
[3] Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Organomet Chem, Shanghai 200032, Peoples R China
来源：
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2001年 / 20卷 / 04期
关键词：
1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene; synthesis; hydrogen bonding; C-H...pi interaction; crystal structure;
D O I：
暂无
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The Compound 1,3,5-tris(benzimidazol-1-ylmetliyl)-2,4,6-triinetliylbenzene, crystallizes in the monoclinic system, space group P2(1) c, with a = 17.571(4), b = 10.860(2), c = 14.126(3)Angstrom; beta =92.89(3)degrees, V=2692(1) Angstrom (3), D-c = 1,260 g/cm(3), Z = 4, C33H30N6, M-r = 510.63, mu (MoK alpha) = 0.077mm(-1), F(000) = 1080. The structure was refined to R = 0.0592, wR = 0.1379 for 1492 (I>2 sigma (I)) reflections. The title molecule has cis, trans, trans-conformation about the central phenyl ring. The screw-related molecules are connected by hydrogen bonds C-(HN)-N-. . . (x, - 0.5-y, 0.5+z) and form the infinite helical chains. The polar molecular chains are antiparallelly stacked through edge-to-face C-H(...)pi interactions.
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页码：262 / 265
页数：4
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