Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methylphenyl)sulfinyl]-1-benzofuran
In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzofuran [r.m.s. deviation = 0.025 (2) Å] and the 2-methylbenzene rings is 87.87 (5)°. In the crystal, molecules are linked into supramolecular layers parallel to (0-11) by C—H...O hydrogen bonds and Br...Br [3.4...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2015-08-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015013687 |
| Summary: | In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzofuran [r.m.s. deviation = 0.025 (2) Å] and the 2-methylbenzene rings is 87.87 (5)°. In the crystal, molecules are linked into supramolecular layers parallel to (0-11) by C—H...O hydrogen bonds and Br...Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C—H...π interactions, which link inversion-related molecules into dimers, and π–π interactions between the benzene and furan rings [centroid–centroid distance = 3.573 (2) Å]. |
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| ISSN: | 2056-9890 |