4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin's compound

Frampton, C. S., McKendrick, J. J. and MacNicol, D. D. (2017) 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin's compound. Acta Crystallographica. Section E: Crystallographic Communications, 73(11), pp. 1662-1665. (doi: 10.1107/S2056989017014608)

Abstract

The title compound, C22H22OS [systematic name: 4-(1,3,3-trimethyl-2,3-di­hydro-1H-4-thia­phenanthren-1-yl)phenol], crystallizes unsolvated from nitro­methane as colourless prisms (m.p. 425–427 K) in the polar monoclinic space group Ia with Z′ = 2 (mol­ecules A and B). Both independent mol­ecules possess a very similar proximal conformation, this referring to the juxtaposition of the 4-hy­droxy­phenyl substituent with respect to the syn-related methyl group. In the crystal, mol­ecule A is linked to mol­ecule B by an O—H...O hydrogen bond. In turn, mol­ecule B exhibits a weak O—H...π inter­action with the phenolic group of mol­ecule A related by a-glide symmetry. Together, these lead to [100] chains.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: MacNicol, Dr David
• Authors: Frampton, C. S., McKendrick, J. J., and MacNicol, D. D.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Acta Crystallographica. Section E: Crystallographic Communications
• Publisher: International Union of Crystallography
• ISSN: 2056-9890
• ISSN (Online): 2056-9890
• Published Online: 20 October 2017
• Copyright Holders: Copyright © 2017 The Authors
• First Published: First published in Acta Crystallographica. Section E: Crystallographic Communications 73(11):1662-1665
• Publisher Policy: Reproduced in accordance with the copyright policy of the publisher.