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Crystal structure of 1-{1-[2-(phenyl-selan-yl)phen-yl]-1H-1,2,3-triazol-4-yl}cyclo-hexan-1-ol.

ABSTRACT: Two independent mol-ecules, A and B, comprise the asymmetric unit of the title compound, C20H21N3OSe. While the benzene ring directly bound to the central triazole ring is inclined to the same extent in both mol-ecules [dihedral angles = 40.41?(12) (mol-ecule A) and 44.14?(12)° (B)], greater differences are apparent in the dihedral angles between the Se-bound rings, i.e. 74.28?(12) (mol-ecule A) and 89.91?(11)° (B). Close intra-molecular Se?N inter-actions of 2.9311?(18) (mol-ecule A) and 2.9482?(18)?Å (B) are noted. In the crystal, supra-molecular chains along the a axis are formed via O-H?N hydrogen bonding. These are connected into layers via C-H?O and C-H?N inter-actions; these stack along (01-1) without directional inter-molecular inter-actions between them.

SUBMITTER: Camargo LR 

PROVIDER: S-EPMC4350684 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of 1-{1-[2-(phenyl-selan-yl)phen-yl]-1H-1,2,3-triazol-4-yl}cyclo-hexan-1-ol.

Camargo Leandro R S LR   Zukerman-Schpector Julio J   Deobald Anna M AM   Braga Antonio L AL   Tiekink Edward R T ER  

Acta crystallographica. Section E, Crystallographic communications 20150225 Pt 3

Two independent mol-ecules, A and B, comprise the asymmetric unit of the title compound, C20H21N3OSe. While the benzene ring directly bound to the central triazole ring is inclined to the same extent in both mol-ecules [dihedral angles = 40.41 (12) (mol-ecule A) and 44.14 (12)° (B)], greater differences are apparent in the dihedral angles between the Se-bound rings, i.e. 74.28 (12) (mol-ecule A) and 89.91 (11)° (B). Close intra-molecular Se⋯N inter-actions of 2.9311 (18) (mol-ecule A) and 2.9482  ...[more]

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