N-[4-(4-Fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide

被引:0
作者
Xu, Hong [2 ]
Sun, Hong-shun [1 ]
Luo, Feng-mao [3 ]
机构
[1] Nanjing Coll Chem Technol, Dept Appl Chem, Nanjing 210048, Peoples R China
[2] Nanjing Coll Chem Technol, Dept Chem Engn, Nanjing 210048, Peoples R China
[3] Nanjing Xiansheng Dongyuan Pharmaceut Co Ltd, Nanjing 211800, Peoples R China
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
关键词
mean σ(C-C) = 0.005 Å; R factor = 0.057; single-crystal X-ray study; T = 293 K; wR factor = 0.168; data-to-parameter ratio = 14.9;
D O I
10.1107/S1600536811049051
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C16H20FN3O3S, the pyrimidine and benzene rings are oriented at a dihedral angle of 38.8 (3)degrees. An intramolecular C-H center dot center dot center dot O hydrogen bond occurs. The crystal structure is stabilized by O-H center dot center dot center dot N hydrogen bonds. In addition, C-H center dot center dot center dot O interactions are also present.
引用
收藏
页码:O3432 / U2025
页数:9
相关论文
共 5 条
[1]  
Enraf-Nonius, 1994, CAD 4 EXPRESS
[2]  
Harms K., 1995, XCAD4
[3]   Methyl 4-(4-fluorophenyl)-6-isopropyl2-[N-methyl-N-(methylsulfonyl)amino]-pyrimidine-5-carboxylate [J].
He, Wei ;
Yang, Dong-Ling ;
Cui, Yong-Tao ;
Xu, Ye-Ming ;
Guo, Cheng .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 :O1126-U2595
[4]   A SEMI-EMPIRICAL METHOD OF ABSORPTION CORRECTION [J].
NORTH, ACT ;
PHILLIPS, DC ;
MATHEWS, FS .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :351-&
[5]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122