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2,4-Bis(4-chloro-benzo-yl)-1-(4-chloro-phen-yl)-3,5-di-2-thienylcyclo-hexa-nol methanol hemisolvate.

ABSTRACT: The title compound, C(34)H(25)Cl(3)O(3)S(2)·0.5CH(3)OH, was synthesized by the reaction of thio-phene-2-carbaldehyde with acetophenone and NaOH under solvent-free conditions, using tetra-butylammonium bromide as a phase-transfer catalyst. The central six-membered ring adopts a chair conformation with the bulky thio-phene, 4-chloro-phenyl and 4-chloro-benzoyl substituents in equatorial positions. The hydroxyl group is in an axial position and forms an intra-molecular O-H?O hydrogen bond to the carbonyl group of an adjacent 4-chloro-benzoyl substituent. The methanol solvent mol-ecules are disordered equally over two positions within one-dimensional channels, with site occupancy factors of 0.25.

SUBMITTER: Wang XF

PROVIDER: S-EPMC2961125 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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2,4-Bis(4-chloro-benzo-yl)-1-(4-chloro-phen-yl)-3,5-di-2-thienylcyclo-hexa-nol methanol hemisolvate.

Wang Xiao-Fang XF Huang Xian-Qiang XQ

Acta crystallographica. Section E, Structure reports online 20080402 Pt 5

The title compound, C(34)H(25)Cl(3)O(3)S(2)·0.5CH(3)OH, was synthesized by the reaction of thio-phene-2-carbaldehyde with acetophenone and NaOH under solvent-free conditions, using tetra-butylammonium bromide as a phase-transfer catalyst. The central six-membered ring adopts a chair conformation with the bulky thio-phene, 4-chloro-phenyl and 4-chloro-benzoyl substituents in equatorial positions. The hydroxyl group is in an axial position and forms an intra-molecular O-H⋯O hydrogen bond to the ca ...[more]

PMID: 21202270

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