Molecular and Crystal Structure of 1,3,5-Tris(benzimidazol- 1-ylmethyl)-2,4,6-Trimethylbenzene

作     者：CAI Yue-Peng KANG Bei-Sheng SU Cheng-Yong ZHANG Hua-Xin YANG Xiao-Ping DENG Liang-Rong XU An-Wu ZHOU Zhong-Yuan CHAN Albert S.C 

作者机构：School of Chemistry and Chemical EngineeringZhongshan UniversityGuangzhou 510275China Department of Applied Biology&Chemical TechnologyThe Hong Kong Polytechnic UniversityHung HomKowloonHong Kong SAR State Key Laboratory of Organomeallic ChemistryShanghai Institute of Organic ChemistryChinese Academy of ScienceShanghai 200032China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2001年第20卷第4期

页      面：262-265页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：the National Natural Science Foundation of China and Natural Science Foundation of Guangdong Province 

主　　题：1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene synthesis hydrogen bonding C-H…π interaction crystal structure 

摘      要：The compound 1,3,5-tris(benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene, crystallizes in the monoclinic system, space group P21/c, with a = 17.571(4), b = 10.860(2), c = 14.126(3) ?; ( = 92.89(3)(, V = 2692(1) ?3, Dc = 1.260 g/cm3, Z = 4, C33H30N6, Mr = 510.63, ((MoK() = 0.077mm-1, F (000) = 1080. The structure was refined to R = 0.0592, wR = 0.1379 for 1492 (I(2((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-H(((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…πinteractions.