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(E)-4-(2-Chloro-1-hy-droxy-2,6,6-tri-methyl-cyclo-hex-yl)but-3-en-2-one. | LitMetric

(E)-4-(2-Chloro-1-hy-droxy-2,6,6-tri-methyl-cyclo-hex-yl)but-3-en-2-one.

Acta Crystallogr Sect E Struct Rep Online

Nanjing College of Chemical Technology, No. 625 Geguan Road, Luhe, Nanjing 210048, People's Republic of China.

Published: December 2012

In the title mol-ecule, C13H21ClO2, there is an intra-molecular C-H⋯Cl hydrogen bond. The conformation about the C=C bond is E and the six-membered ring has a chair conformation. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming inversion dimers, which are consolidated by C-H⋯O hydrogen bonds. The dimers are linked via C-H.·O hydrogen bonds, forming chains along [100].

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589057PMC
http://dx.doi.org/10.1107/S1600536812048544DOI Listing

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