3-(Adamantan-1-yl)-1-[(4-benzyl-piperazin-1-yl)methyl]-4-[(E)-(2-hydroxy-benzylidene)amino]-1H-1,2,4-triazole5(4H)-thione

被引：1
|
作者：
Ei-Emam, Ali A. [1 ]
Al-Omar, Mohamed A. [1 ]
Al-Tamimi, Abdul-Malek S. [1 ]
Ng, Seik Weng [2 ,3 ]
Tiekink, Edward R. T. [2 ]
机构：
[1] King Saud Univ, Coll Pharm, Dept Pharmaceut Chem, Riyadh 11451, Saudi Arabia
[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 | 2012年 / 68卷
关键词：
single-crystal X-ray study; T= 100 K; mean sigma (C-C) = 0.003 A(degrees); disorder in main residue; R factor = 0.052; wR factor = 0.125; data-to-parameter ratio = 17.9;
D O I：
10.1107/S1600536812021204
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C31H38N6OS, the conformation about the N= C [1.285 (2) A(degrees)] imine bond is E. The piperazine ring has a chair conformation and occupies a position almost perpendicular to the plane through the triazole ring; the benzene ring forms a dihedral angle of 31.95 (10)(degrees) with the triazole ring. Overall, the molecule has the shape of a flattened bowl. The hydroxy group is disordered over two positions. The major component has a site-occupancy factor of 0.762 (3) and forms an intramolecular O-H... N(imine) bond to close an S(6) loop. The minor component of the disordered hydroxy group forms an O-H...N( piperazine) hydrogen bond. These, along with C-H... S and C-H...N interactions, link molecules into a three-dimensional architecture.
引用
收藏
页码：O1766 / +
页数：13
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