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. 2011 Nov;67(Pt 11):o3071.
doi: 10.1107/S160053681104044X. Epub 2011 Oct 29.

1,1'-[(2,3,3a,4,5,6,7,7a-Octa-hydro-1H-1,3-benzimidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole)

Augusto Rivera, Dency José Pacheco, Jaime Ríos-Motta, Michaela Pojarová, Michal Dušek

1,1'-[(2,3,3a,4,5,6,7,7a-Octa-hydro-1H-1,3-benzimidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole)

Augusto Rivera et al. Acta Crystallogr Sect E Struct Rep Online. 2011 Nov.

Abstract

The cyclo-hexane ring in the title compound, C(21)H(24)N(8), 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 expecta-tion is for a long N-CH(2) bond length [1.476 (2) Å] as a consequence of an anomeric effect. In the crystal, mol-ecules are connected by C-H⋯N hydrogen bonds.

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Figures

Fig. 1.
Fig. 1.
A view of the title compound, with displacement ellipsoids drawn at the 50% probability level.
Fig. 2.
Fig. 2.
Crystal packing of the title compound viewed along b axis.
See this image and copyright information in PMC

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