1,1 #8242;-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole)

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 w...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2011-11, Vol.67 (11), p.o3071-o3071
Hauptverfasser: Augusto Rivera, Dency Jos&#233, Pacheco, Jaime R&#237, os-Motta, Michaela Pojarov&#225, Michal Du&#353, ek
Format: Artikel
Sprache:eng
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Zusammenfassung: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) Å] as a consequence of an anomeric effect. In the crystal, molecules are connected by C—H...N hydrogen bonds.
ISSN:1600-5368
1600-5368
DOI:10.1107/S160053681104044X