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Crystal structure of 4-phenyl-1-{2-[(2,4,6-tri-methyl-phen-yl)selan-yl]phen-yl}-1H-1,2,3-triazole.

ABSTRACT: In the title compound, C23H21N3Se, the C-bound phenyl ring is almost coplanar with the central five-membered ring [dihedral angle = 2.84?(10)°], but the N-bound benzene ring is inclined [dihedral angle = 47.52?(10)°]. The dihedral angle between the Se-bound rings is 69.24?(9)°. An intra-molecular Se?N inter-action of 3.0248?(15)?Å is noted. In the crystal, C-H?? inter-actions connect mol-ecules into double layers that stack along the a axis with no directional inter-actions between them.

SUBMITTER: Camargo LR

PROVIDER: S-EPMC4350715 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of 4-phenyl-1-{2-[(2,4,6-tri-methyl-phen-yl)selan-yl]phen-yl}-1H-1,2,3-triazole.

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

In the title compound, C23H21N3Se, the C-bound phenyl ring is almost coplanar with the central five-membered ring [dihedral angle = 2.84 (10)°], but the N-bound benzene ring is inclined [dihedral angle = 47.52 (10)°]. The dihedral angle between the Se-bound rings is 69.24 (9)°. An intra-molecular Se⋯N inter-action of 3.0248 (15) Å is noted. In the crystal, C-H⋯π inter-actions connect mol-ecules into double layers that stack along the a axis with no directional inter-actions between them. ...[more]

PMID: 25844250

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