Crystal structure of rac-2,3-diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one 1-oxide

rac-2,3-二苯基-2,3,5,6-四氢-4H-1,3-噻嗪-4-酮 1-氧化物的晶体结构

阅读:1

Abstract

In the title compound, C(16)H(15)NO(2)S [alternative name: rac-2,3-diphenyl-1,3-thia-zinan-4-one 1-oxide], the thia-zine ring exhibits an envelope conformation, with the S atom forming the flap. The sulfoxide O atom is in a pseudo-axial position on the thia-zine ring and is trans to the phenyl group on C-2. The phenyl rings form a dihedral angle of 89.47 (19)°. In this racemate crystal, homochiral mol-ecules form slabs parallel to (010) of thickness b/2 which then stack with alternating chirality in the b-axis direction. The stacking is aided by edge-to-face inter-actions between the phenyl rings of racemic mol-ecules. Within each of the single-enanti-omer slabs, the mol-ecules are held by C-H⋯O-type inter-actions, with an H⋯O distance of 2.30 Å, forming infinite chains along the c-axis direction, as well by the edge-to-face inter-actions between phenyl rings of neighboring mol-ecules in the a-axis direction.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。