3,5-Dibromobenzonitrile

Molecules of the title compound (I), C7H3Br2N, lie on a crystallographic mirror plane that bisects the benzene ring and the cyano group. In the crystal, no C[triple-bond]N...Br or Br...Br short contacts are observed. Head-to-tail C(7) chains form based on weak hydrogen bonding between the the para H...

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Bibliographic Details
Main Authors: Wayland E. Noland, Kenneth J. Tritch
Format: Article
Language:English
Published: International Union of Crystallography 2018-01-01
Series:IUCrData
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314618000597
Description
Summary:Molecules of the title compound (I), C7H3Br2N, lie on a crystallographic mirror plane that bisects the benzene ring and the cyano group. In the crystal, no C[triple-bond]N...Br or Br...Br short contacts are observed. Head-to-tail C(7) chains form based on weak hydrogen bonding between the the para H atom and the cyano N atom. Although molecules of (I) pack differently than 3,5-difluorobenzonitrile, both compounds have similarly distorted benzene rings. For (I), the endocyclic bond angles are 121.16 (16)° and 117.78 (16)° about the ipso and para C atoms, respectively.
ISSN:2414-3146