Twinning by merohedry in cyclohexanone oxime: a revised structure

Autor: Cornelis A. van Walree, Anthony L. Spek, Reza Dabirian, Martin Lutz, Leonardus W. Jenneskens
Rok vydání: 2004
Předmět:
Zdroj: Acta Crystallographica Section C Crystal Structure Communications. 60:o127-o129
ISSN: 0108-2701
DOI: 10.1107/s0108270103029196
Popis: 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 R_3^3(9) graph set.
Databáze: OpenAIRE