Crystal structures of the sulfones of 2,3-diphenyl2,3-dihydro-4H-1,3-benzothiazin-4-one and 2,3diphenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin- 4-one

被引:2
作者
Yennawar, Hemant P. [1 ]
Mal, Tapas K. [2 ]
Pacheco, Carlos N. [2 ]
Lagalante, Anthony F. [3 ]
Olsen, Mark A. [3 ]
Russell, Michael W. [4 ]
Muench, Grace C. [4 ]
Moyer, Quentin J. [4 ]
Silverberg, Lee J. [4 ]
机构
[1] Penn State Univ, Dept Biochem & Mol Biol, University Pk, PA 16802 USA
[2] Penn State Univ, Dept Chem, University Pk, PA 16802 USA
[3] Villanova Univ, Mendel Sci Ctr, 800 Lancaster Ave, Villanova, PA 19085 USA
[4] Penn State Univ, Schuylkill Campus,200 Univ Dr, Schuylkill Haven, PA 17972 USA
基金
美国国家卫生研究院; 美国国家科学基金会;
关键词
sulfone; 1,3-thiazin-4-one; screwboat pucker; S-oxidation; crystal structure;
D O I
10.1107/S2056989023001524
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title sulfones, 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazine-1,1,4-trione, C20H15NO3S, and 2,3-diphenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazine-1,1,4trione, C19H14N2O3S, crystallize in space group P21/n with two molecules in each of the asymmetric units and have almost identical unit cells and extended structures. In both structures, the thiazine rings exhibit a screw-boat pucker. The intermolecular interactions observed are C-H center dot center dot center dot O-type hydrogen bonds and parallel partial pi-pi stacking between the fused aromatic rings (benzo- or pyrido-) of the core of the molecules within each asymmetric unit, and also connecting to molecules with translational periodicity in the a-axis direction in what can be described as columns (two per asymmetric unit) of stacked molecules with alternating chirality. The pendant phenyl groups of both molecules do not participate in aromatic ring interactions.
引用
收藏
页码:221 / +
页数:21
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