Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



zj2098 scheme

Acta Cryst. (2012). E68, o3485    [ doi:10.1107/S1600536812048544 ]

(E)-4-(2-Chloro-1-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one

S. Liu, X.-Y. Yang and Y.-L. Zhang

Abstract: In the title molecule, C13H21ClO2, there is an intramolecular 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, molecules 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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