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...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2004-02, Vol.60 (Pt 2), p.o127-o129
Main Authors: LUTZ, Martin, SPELT, Anthony L, DABIRIAN, Reza, VAN WALREE, Cornelis A, JENNESKENS, Leonardus W
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Crystalline state (including molecular motions in solids)
Exact sciences and technology
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
Theory of crystal structure, crystal symmetry
calculations and modeling
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Summary: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.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270103029196