Twinning by merohedry in cyclohexanone oxime: a revised structure

被引:10
作者
Lutz, M
Spek, AL
Dabirian, R
van Walree, CA
Jenneskens, LW
机构
[1] Univ Utrecht, Bijvoet Ctr Biomol Res, Dept Crystal & Stuct Chem, NL-3584 CH Utrecht, Netherlands
[2] Univ Utrecht, Debye Inst, Dept Phys Organ Chem, NL-3584 CH Utrecht, Netherlands
关键词
D O I
10.1107/S0108270103029196
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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 (3) over bar, 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.
引用
收藏
页码:O127 / O129
页数:3
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