4-Bromo-1-nitrobenzene
The non-H atoms of the title molecule, C6H4BrNO2, are essentially coplanar with an r.m.s. deviation of 0.040 Å. In the crystal, π–π stacking occurs between parallel benzene rings of adjacent molecules with centroid–cent...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2011-03-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811003394 |
| Summary: | The non-H atoms of the title molecule, C6H4BrNO2, are essentially coplanar with an r.m.s. deviation of 0.040 Å. In the crystal, π–π stacking occurs between parallel benzene rings of adjacent molecules with centroid–centroid distances of 3.643 (3) and 3.741 (3) Å. Weak intermolecular C—H...O hydrogen bonding and short Br...O contacts [3.227 (4) 3.401 (4) Å] are also observed in the crystal structure. The crystal studied was a non-morohedral twin with a 26.1 (6)% minor component. |
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| ISSN: | 1600-5368 |