1,1´-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole)

0369833 - FZÚ 2012 RIV DK eng J - Journal Article
Rivera, A. - Pacheco, D.J. - Ríos-Motta, J. - Pojarová, Michaela - Dušek, Michal
1,1´-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole).
Acta Crystallographica Section E-Structure Reports Online. Roč. 67, Part 11 (2011), O3071-U1727. ISSN 1600-5368. E-ISSN 2056-9890
Grant - others:AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institutional research plan: CEZ:AV0Z10100521
Keywords : crystal structure * SHELX97
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 0.347, year: 2011

The cyclohexane ring in the title compound, C21H24N8, adopts a chair conformation and the five-membered heterocyclic ring to which it is fused adopts a twist conformation on their common C-C bond. The substituents on the N atoms of the central five-membered heterocycle are arranged trans with respect to the central ring. The terminal benzotriazole rings are oriented at angles of 74.66 (8) and 84.18 (8) with respect to the mean plane of the central heterocycle. The angle between the two benzotriazole rings is 30.80 (9) . The bond lengths and angles are within normal ranges; the largest deviation from expectation is for a long N-CH2 bond length [1.476 (2) A°] as a consequence of an anomeric effect. In the crystal, molecules are connected by C-H...N hydrogen bonds.
Permanent Link: http://hdl.handle.net/11104/0203808