Crystal structure of ethyl 2-cyano-3-[(1-ethoxyethylidene)amino]-5-(3-methoxy-phenyl)-7-methyl-5H-1,3-thiazolo[3,2-a]-pyrimidine-6-carboxylate

被引:0
|
作者
Krishnamurthy, M. S. [1 ]
Begum, Noor Shahina [1 ]
机构
[1] Bangalore Univ, Dept Studies Chem, Cent Coll Campus, Bangalore 560001, Karnataka, India
关键词
crystal structure; pyrimidine; thiazolopyrimidine; thiazolo[3,2-a]pyrimidine; hydrogen bonding; pi-pi stacking interactions;
D O I
10.1107/S2056989015005241
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C22H24N4O4S, the central pyrimidine ring adopts a sofa conformation with the ring -junction N atom displaced by 0.2358 (6) angstrom from the mean plane of the remaining ring atoms. The 3-methoxyphenyl ring, at the chiral C atom opposite the other N atom, is positioned axially and is inclined to the thiazolopyrimidine ring with a dihedral angle of 83.88 (7)degrees. The thiazole ring is essentially planar (r.m.s. deviation = 0.0034 A). In the crystal, pairs of weak C-H center dot center dot center dot O "0 hydrogen bonds link molecules related by twofold rotation axes to form R22(8) rings, which in turn are linked by weak C-H center dot center dot center dot N interactions, forming ribbons along [110]. In addition, pi-pi stacking interactions [centroid-centroid 2. distance = 3.5744 (15) angstrom] connect the ribbons, forming slabs lying parallel to (001).
引用
收藏
页码:O256 / U382
页数:10
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