Crystal structure of ethyl 5-(3-fluorophenyl)-2-[(4-fluorophenyl) methylidene]7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

被引：6
|
作者：
Krishnamurthy, M. S. [1 ]
Nagarajaiah, H. [1 ]
Begum, Noor Shahina [1 ]
机构：
[1] Bangalore Univ, Dept Studies Chem, Bangalore 560001, Karnataka, India
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷
关键词：
crystal structure; pyrimidine; thiazole; hydrogen bonds; pi-pi stacking interactions;
D O I：
10.1107/S1600536814023010
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title molecule, C23H18F2N2O3S, the pyrimidine ring is in a half-chair conformation and the 3-fluorophenyl group is in the axial position. The thiazole ring (r.m.s. deviation = 0.0252 angstrom) forms dihedral angles of 84.8 (7) and 9.6 (7)degrees with the 3-fluoro-substituted and 4-fluoro-substituted benzene rings, respectively. In the crystal, weak C-H center dot center dot center dot F and C-H center dot center dot center dot O hydrogen bonds connect molecules, forming zigzag chains along the b axis. In addition pi-pi stacking interactions with a centroid-centroid distance of 3.7633 (9) angstrom connect these chains into ladders via inversion-related 4-fluorophenyl groups.
引用
收藏
页码：O1187 / +
页数：10
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