Crystal structure of nuarimol

被引:0
作者
Kang, Gihaeng
Kim, Jineun [1 ]
Park, Hyunjin
Kim, Tae Ho
机构
[1] Gyeongsang Natl Univ, Dept Chem, Jinju 660701, South Korea
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷
关键词
crystal structure; nuarimol; pyrimidine fungicide; hydrogen bonding;
D O I
10.1107/S2056989015013493
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound [systematic name: (RS)-(2-chlorophenyl)-(4-fluorophenyl)(pyrimidin-5-yl)methanol], C17H12ClFN2O, is a pyrimidine fungicide. The asymmetric unit comprises two independent molecules, A and B, in which the dihedral angles between the plane of the pyrimidine ring and those of the chlorophenyl and fluorophenyl rings are 71.10 (6) and 70.04 (5)degrees in molecule A, and 73.24 (5) and 89.30 (5)degrees in molecule B. In the crystal, O-H center dot center dot center dot N hydrogen bonds link the components into [010] chains of alternating A and B molecules. The chains are cross-linked by C-H center dot center dot center dot F hydrogen bonds and weak C-H center dot center dot center dot pi and C-Cl center dot center dot center dot pi [Cl center dot center dot center dot ring centroid = 3.7630 (8) angstrom] interactions, generating a three-dimensional network.
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页码:O586 / +
页数:11
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