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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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-01-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314618000597 |
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doaj-28bb4feaff884959ac08041442e464ac2020-11-25T00:45:16ZengInternational Union of CrystallographyIUCrData2414-31462018-01-0131x18005910.1107/S2414314618000597sj41543,5-DibromobenzonitrileWayland E. Noland0Kenneth J. Tritch1Department of Chemistry, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455, USADepartment of Chemistry, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455, USAMolecules 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.http://scripts.iucr.org/cgi-bin/paper?S2414314618000597crystal structurenitrileC—H...N hydrogen bondsC[triple-bond]N...H contacts |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Wayland E. Noland Kenneth J. Tritch |
| spellingShingle |
Wayland E. Noland Kenneth J. Tritch 3,5-Dibromobenzonitrile IUCrData crystal structure nitrile C—H...N hydrogen bonds C[triple-bond]N...H contacts |
| author_facet |
Wayland E. Noland Kenneth J. Tritch |
| author_sort |
Wayland E. Noland |
| title |
3,5-Dibromobenzonitrile |
| title_short |
3,5-Dibromobenzonitrile |
| title_full |
3,5-Dibromobenzonitrile |
| title_fullStr |
3,5-Dibromobenzonitrile |
| title_full_unstemmed |
3,5-Dibromobenzonitrile |
| title_sort |
3,5-dibromobenzonitrile |
| publisher |
International Union of Crystallography |
| series |
IUCrData |
| issn |
2414-3146 |
| publishDate |
2018-01-01 |
| description |
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. |
| topic |
crystal structure nitrile C—H...N hydrogen bonds C[triple-bond]N...H contacts |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2414314618000597 |
| work_keys_str_mv |
AT waylandenoland 35dibromobenzonitrile AT kennethjtritch 35dibromobenzonitrile |
| _version_ |
1725271191560650752 |