Phenyl 4-toluenesulfonate: supramolecular aggregation through weak C—H⋯O and C—H⋯π interactions
✍ Scribed by Manivannan, Vadivelu ;Vembu, Nagarajan ;Nallu, Maruthai ;Sivakumar, Kandasamy ;Linden, Anthony
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 203 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the crystal structure of the title compound, C 13 H 12 O 3 S, the dihedral angle between the mean planes of the 4-tolyl and phenyl rings is 52.6 (1) . There are weak C-HÁ Á ÁO hydrogen bonds, which generate rings of graph-set motifs R 1 2 (4) and R 2 1 (9). The supramolecular aggregation is completed by the presence of van der Waals short contacts and C-HÁ Á Á interactions.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.002 A Ê R factor = 0.037 wR factor = 0.091 Data-to-parameter ratio = 35.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê R factor = 0.058 wR factor = 0.128 Data-to-parameter ratio = 13.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.