3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione

被引:0
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; disorder in main residue/R factor = 0.060; mean σ(C-C) = 0.006 Å; single-crystal X-ray study; T = 100 K; wR factor = 0.154;
D O I
10.1107/S1600536811055711
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title molecule, C29H35N5S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring (r.m.s. deviation = 0.001 angstrom) whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 88.9 (1)degrees]. The substituents on the piperazine ring occupy equatorial sites. In the crystal, the adamantyl cage is disordered over two sets of sites with a major component of 67.8 (5)%. Weak intermolecular C-H center dot center dot center dot S hydrogen bonding is present in the crystal.
引用
收藏
页码:O345 / U132
页数:13
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