5-(4-Fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-1H- 1,2,3-triazol-4-yl]-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide

被引:0
|
作者
Abdel-Wahab, Bakr F. [1 ]
Ng, Seik Weng [2 ,3 ]
Tiekink, Edward R. T. [2 ]
机构
[1] Natl Res Ctr, Appl Organ Chem Dept, Giza 12622, Egypt
[2] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia
[3] King Abdulaziz Univ, Fac Sci, Chem Dept, Jeddah, Saudi Arabia
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷
关键词
D O I
10.1107/S1600536813008155
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C26H23FN6S, the pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The thiourea group is close to being coplanar with the pyrazole N atoms [N-N-C-S torsion angle = 176.78 (15)degrees], which allows for an intramolecular N-H center dot center dot center dot N hydrogen bond; the connected triazole ring is nearly coplanar with this ring [N-C-C-N = -172.65 (19)degrees]. There is a significant twist between the pyrazole ring and attached fluorobenzene ring [N-C-C-C = -18.8 (3)degrees] and a greater twist between triazole and attached tolyl ring [dihedral angle = 58.25 (14)degrees]. In the crystal, supramolecular chains aligned along [40,10] are consolidated by pi-pi interactions between the triazole and phenyl rings [centroid-centroid distance = 3.7053 (13) angstrom].
引用
收藏
页码:O619 / +
页数:11
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