Twinning by merohedry in cyclohexanone oxime: a revised structure.
The crystal structure of cyclohexanone oxime, C(6)H(11)NO, 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-3, 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 R(3)(3)(9) graph set.
Lutz
Martin
M
Bijvoet Centre for Biomolecular Research, Department of Crystal and Structural Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands. m.lutz@chem.uu.nl
Spek
Anthony L
AL
Dabirian
Reza
R
van Walree
Cornelis A
CA
Jenneskens
Leonardus W
LW