Biermann Manfred, Hardcastle Kenneth I, Moskalev Nikolai V, Crooks Peter A
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o936. doi: 10.1107/S1600536811009950. Epub 2011 Mar 19.
The crystal structure of the title compound, C(12)H(14)ClNO, was determined in order to confirm that the chiral center of the mol-ecule has an S configuration. The cyclo-hexa-none ring adopts a chair conformation. The 2-chloro-phenyl ring is slightly twisted from the axial C-N bond, with a N-C-C-C torsion angle of -5.7 (2)°. In the crystal, an inter-molecular N-H⋯O hydrogen bond links adjacent mol-ecules into an infinite chain, which propagates in the b-axis direction.
为了确认分子的手性中心具有S构型，测定了标题化合物C(12)H(14)ClNO的晶体结构。环己酮环呈椅式构象。2-氯苯基环相对于轴向C-N键略有扭曲，N-C-C-C扭转角为-5.7 (2)°。在晶体中，分子间的N-H⋯O氢键将相邻分子连接成无限链，该链沿b轴方向延伸。
