(5R)-3-(2-氯乙酰基)-4-甲基-5-苯基-1,3,4-恶二唑烷-2-酮
(5R)-3-(2-Chloro-acet-yl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one.
作者信息
Caracelli Ignez, Coelho Daniel C S, Olivato Paulo R, Rodrigues Alessandro, Tiekink Edward R T
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1571-2. doi: 10.1107/S1600536811020356. Epub 2011 Jun 4.
Abstract
The 1,3,4-oxadiazinan-2-one ring in the title compound, C(12)H(13)ClN(2)O(3), is in a distorted half-chair conformation. The phenyl and chloro-acetyl groups occupy axial and equatorial positions, respectively, and lie to the opposite side of the mol-ecule to the N-bound methyl substituent. Mol-ecules are consolidated in the crystal structure by C-H⋯O inter-actions.
摘要
标题化合物C(12)H(13)ClN(2)O(3)中的1,3,4-恶二嗪-2-酮环呈扭曲的半椅构象。苯基和氯乙酰基分别占据轴向和赤道位置，且位于分子中与氮相连的甲基取代基相反的一侧。分子通过C-H⋯O相互作用在晶体结构中聚集。
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