N-(2-{[5-Bromo-2-(morpholin-4-yl)-pyrimidin-4-yl]sulfanyl}-4-methoxy-phenyl)-4-methylbenzenesulfonamide

被引:6
作者
Kant, Rajni [1 ]
Gupta, Vivek K. [1 ]
Kapoor, Kamini [1 ]
Kumar, Mohan [2 ]
Mallesha, L. [3 ]
Sridhar, M. A. [2 ]
机构
[1] Univ Jammu, Postgrad Dept Phys Elect, X Ray Crystallog Lab, Jammu 180006, India
[2] Univ Mysore, Dept Studies Phys, Mysore 570006, Karnataka, India
[3] JSS Coll Arts Commerce & Sci, PG Dept Studies Chem, Mysore 570025, Karnataka, India
关键词
data-to-parameter ratio = 14.9; disorder in main residue; mean σ(C-C) = 0.005 Å; R factor = 0.041; single-crystal X-ray study; T = 293 K; wR factor = 0.086;
D O I
10.1107/S1600536812033375
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C22H23BrN4O4S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9 (1)degrees and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7 (1)degrees. The molecular conformation is stabilized by a weak intramolecular pi-pi stacking interaction between the pyrimidine and the 4-methylbenzene rings [centroid-centroid distance = 3.934 (2) angstrom]. The morpholine ring adopts a chair conformation and is disordered over two positions with an occupancy ratio of 0.853 (6):0.147 (6). In the crystal, molecules are linked by N-H center dot center dot center dot O hydrogen bonds into chains extending along the a axis and further, through C-H center dot center dot center dot N and C-H center dot center dot center dot O interactions, into a three-dimensional supramolecular structure.
引用
收藏
页码:02590 / +
页数:12
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