Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate

被引:10
作者
Al-Abdullah, Ebtehal S. [2 ]
Asiri, Hanadi H. [2 ]
El-Emam, Ali A. [2 ]
Ng, Seik Weng [1 ,3 ]
机构
[1] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia
[2] King Saud Univ, Coll Pharm, Dept Pharmaceut Chem, Riyadh 11451, Saudi Arabia
[3] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah, Saudi Arabia
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2012年 / 68卷
关键词
data-to-parameter ratio = 18.4; mean σ(C-C) = 0.004 Å; R factor = 0.061; single-crystal X-ray study; T = 100 K; wR factor = 0.156;
D O I
10.1107/S1600536811055668
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title molecule, C26H35N5O2S, displays a chair-shaped piperazine ring, as well as a planar triazole ring whose phenyl substituent is perpendicular to the mean plane of the five-membered ring [dihedral angle = 90.00 (13)Alpha degrees]. The methylene substituent on the piperazine ring occupies an equatorial site. Weak intermolecular C-H center dot center dot center dot O hydrogen bonding is present in the crystal structure. The crystal studied was a nonmerohedral twin, with a 33.9 (3)% minor component.
引用
收藏
页码:O531 / U1800
页数:11
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