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Crystal structure of 1-bromo-2-(phenyl-selen-yl)benzene.

ABSTRACT: In the title compound, C12H9BrSe, the Se atom exhibits a bent geometry, with a C-Se-C bond angle of 99.19?(6)°. The ortho Se and Br atoms are slightly displaced from opposite faces of the mean plane of the benzene ring [by 0.129?(2) and 0.052?(2)?Å, respectively]. The planes of the benzene and phenyl rings form a dihedral angle of 72.69?(5)°. In the crystal, ?-stacking inter-actions between inversion-related phenyl rings are observed, with a centroid-centroid distance of 3.630?(1)?Å.

SUBMITTER: Charette BJ

PROVIDER: S-EPMC4350714 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of 1-bromo-2-(phenyl-selen-yl)benzene.

Charette Bronte J BJ Ritch Jamie S JS

Acta crystallographica. Section E, Crystallographic communications 20150228 Pt 3

In the title compound, C12H9BrSe, the Se atom exhibits a bent geometry, with a C-Se-C bond angle of 99.19 (6)°. The ortho Se and Br atoms are slightly displaced from opposite faces of the mean plane of the benzene ring [by 0.129 (2) and 0.052 (2) Å, respectively]. The planes of the benzene and phenyl rings form a dihedral angle of 72.69 (5)°. In the crystal, π-stacking inter-actions between inversion-related phenyl rings are observed, with a centroid-centroid distance of 3.630 (1) Å. ...[more]

PMID: 25844201

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