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1,1´-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole)
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SYSNO ASEP 0369833 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title 1,1´-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) Author(s) Rivera, A. (CO)
Pacheco, D.J. (CO)
Ríos-Motta, J. (CO)
Pojarová, Michaela (FZU-D) RID, ORCID
Dušek, Michal (FZU-D) RID, ORCID, SAISource Title Acta Crystallographica Section E-Structure Reports Online. - : Oxford Blackwell - ISSN 1600-5368
Roč. 67, Part 11 (2011), O3071-U1727Number of pages 11 s. Language eng - English Country DK - Denmark Keywords crystal structure ; SHELX97 Subject RIV BM - Solid Matter Physics ; Magnetism CEZ AV0Z10100521 - FZU-D (2005-2011) UT WOS 000297859000148 DOI 10.1107/S160053681104044X Annotation 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. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2012
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