Please use this identifier to cite or link to this item: http://bura.brunel.ac.uk/handle/2438/18324
Title: 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia -Dianin's compound
Authors: Frampton, CS
McKendrick, JJ
Macnicol, DD
Keywords: crystal structure;thia-Dianin's compound;hydrogen bonding
Issue Date: Nov-2017
Publisher: International Union of Crystallography
Citation: Acta Crystallographica Section E: Crystallographic Communications, 2017, 73 (11), pp. 1662 - 1665
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.
URI: http://bura.brunel.ac.uk/handle/2438/18324
DOI: http://dx.doi.org/10.1107/S2056989017014608
ISSN: 2056-9890
http://dx.doi.org/10.1107/S2056989017014608
Appears in Collections:Dept of Mechanical and Aerospace Engineering Research Papers

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