Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 2 (February 2004)

Acta Cryst. (2004). C60, o127-o129 [doi:10.1107/S0108270103029196]

Twinning by merohedry in cyclohexanone oxime: a revised structure

M. Lutz, A. L. Spek, R. Dabirian, C. A. van Walree and L. W. Jenneskens

Abstract: The crystal structure of cyclohexanone oxime, C₆H₁₁NO, was reported as severely disordered in the trigonal non-centrosymmetric space group P3 [Olivato, Ribeiro, Zukerman-Schpector & Bombieri (2001). Acta Cryst. B57, 705-713]. Re-investigation of the crystal structure as twinned by merohedry in the trigonal centrosymmetric space group $P\overline3$ , with a twofold rotation about [001] as twin law, resulted in a well ordered structure and low R values. The asymmetric unit contains three independent molecules, existing as a hydrogen-bonded trimer, having an (9) graph set.

Formula: Two refinements of C₆H₁₁NO

Online 17 January 2004


	Structure factor file (CIF format) (217.9 kbytes) Contains datablock I

	Structure factor file (CIF format) (217.6 kbytes) Contains datablock II

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