7-[4-(4-Fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]tetrazolo[1,5-a]-pyridine

被引:0
|
作者
Selig, Roland [1 ]
Schollmeyer, Dieter [2 ]
Schlosser, Joachim [1 ]
Albrecht, Wolfgang [3 ]
Laufer, Stefan [1 ]
机构
[1] Univ Tubingen, D-72076 Tubingen, Germany
[2] Johannes Gutenberg Univ Mainz, D-55099 Mainz, Germany
[3] Cair Biosci GmbH, D-72076 Tubingen, Germany
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词
Data-to-parameter ratio = 13.0; Mean σ(C-C) = 0.002 Å; R factor = 0.038; Single-crystal X-ray study; T = 193 K; WR factor = 0.107;
D O I
10.1107/S1600536810002680
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The crystal structure of the title compound, C15H11FN6S, forms a three-dimensional network stabilized by pi-pi interactions between the imidazole core and the tetrazole ring of the tetrazolopyridineunit; the centroid-centroid distance is 3.627 (1) angstrom. The crystal structure also displays bifurcated N-H center dot center dot center dot(N,N) hydrogen bonding and C-H center dot center dot center dot F interactions. The former involve the NH H atom of the imidazole core and the tetrazolopyridine N atoms, while the latter involve a methyl H atom, of the methylsulfanyl group, and the 4-fluorophenyl F atom. In the molecule, the imidazole ring makes dihedral angles of 40.45 (9) and 17.09 (8)degrees, respectively, with the 4-fluorophenyl ring and the tetrazolopyridine ring mean plane.
引用
收藏
页码:O451 / U3315
页数:9
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