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

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 = 17.57 1(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 = 0.05 92, wR = 0.1379 for 1492 (I>2 sigma (I)) reflections. The title molecule ha s cis, trans, trans-conformation about the central phenyl ring. The screw-r elated 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 a re antiparallelly stacked through edge-to-face C-H(...)pi interactions.