Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/33132
Title: Molecular and crystal structure of 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene
Authors: Cai, YP
Kang, BS
Su, CY
Zhang, HX
Yang, XP
Deng, LR
Xu, AW
Zhou, ZY
Chan, ASC
Keywords: 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene
Synthesis
Hydrogen bonding
C-H...pi interaction
Crystal structure
Issue Date: 2001
Publisher: 中國學術期刊(光盤版)電子雜誌社
Source: 结构化学 (Chinese journal of structural chemistry), 2001, v. 20, no. 4, p. 262-265 How to cite?
Journal: 结构化学 (Chinese journal of structural chemistry) 
Abstract: 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.
URI: http://hdl.handle.net/10397/33132
ISSN: 0254-5861
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