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5-Bromo-benzene-1,3-dicarbo-nitrile.

ABSTRACT: The asymmetric unit of the title compound, C8H3BrN2, consists of two mol-ecules. The crystal structure features undulating mol-ecular sheets with the mol-ecules linked by C-H?N hydrogen bonds with one N atom acting as a bifurcated acceptor. N?Br inter-actions also occur [N?Br = 2.991?(3) and 3.099?(3)?Å]. Inter-layer association is accomplished by offset face-to-face arene inter-actions [centroid-centroid distance = 3.768?(4)?Å].

SUBMITTER: Seidel N

PROVIDER: S-EPMC3885018 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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5-Bromo-benzene-1,3-dicarbo-nitrile.

Seidel Nadine N Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Structure reports online 20131106 Pt 12

The asymmetric unit of the title compound, C8H3BrN2, consists of two mol-ecules. The crystal structure features undulating mol-ecular sheets with the mol-ecules linked by C-H⋯N hydrogen bonds with one N atom acting as a bifurcated acceptor. N⋯Br inter-actions also occur [N⋯Br = 2.991 (3) and 3.099 (3) Å]. Inter-layer association is accomplished by offset face-to-face arene inter-actions [centroid-centroid distance = 3.768 (4) Å]. ...[more]

PMID: 24454193

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