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

摘要

The compound 1,3,5-tris(benzimidazol-l-ylmethyl)-2,4,6-trimethylbenzene, rncrystallizes in the monoclinic system, space group P2rC, with a = 17.571(4), b = 10.860(2), c = rn14.126(3) A; β = 92.89(3)°, V= 2692(1)A3, De = 1.260 g/cm3, Z = 4, C33H30N6, Mr. = 510.63, rnμ(MoKα) = 0.077mm-1, F(000) = 1080. The structure was refined to R = 0.0592, wR = 0.1379 for rn1492 (I＞2σ(I)) reflections. The title molecule has cis, trans, trans-conformation about the central rnphenyl ring. The screw-related molecules are connected by hydrogen bonds C-H...N (x,-0.5-y, rn0.5+z) and form the infinite helical chains. The polar molecular chains are antiparallelly stacked rnthrough edge-to-face C-H… π interactions.