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3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-3-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one.

ABSTRACT: The asymmetric unit of the title compound, C(21)H(26)O(4)S, consists of two independent mol-ecules. In both mol-ecules, intra-molecular O-H?O hydrogen bonds stabilize the mol-ecular structure. In the crystal, each mol-ecule and its symmetry-related mol-ecule by twofold rotation form a dimer through a pair of inter-molecular C-H?O hydrogen bonds. In one of the mol-ecules, the thio-phene group is disordered over two sets of sites with occupancies of 0.735?(3) and 0.265?(3).

SUBMITTER: Asad M

PROVIDER: S-EPMC3151761 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(thiophen-3-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one.

Asad Mohammad M Oo Chuan-Wei CW Osman Hasnah H Rosli Mohd Mustaqim MM Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

The asymmetric unit of the title compound, C(21)H(26)O(4)S, consists of two independent mol-ecules. In both mol-ecules, intra-molecular O-H⋯O hydrogen bonds stabilize the mol-ecular structure. In the crystal, each mol-ecule and its symmetry-related mol-ecule by twofold rotation form a dimer through a pair of inter-molecular C-H⋯O hydrogen bonds. In one of the mol-ecules, the thio-phene group is disordered over two sets of sites with occupancies of 0.735 (3) and 0.265 (3). ...[more]

PMID: 21837183

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