3-(Adamantan-1-yl)-4-methyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione dichloro-methane hemisolvate.
3-(Adamantan-1-yl)-4-methyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione dichloro-methane hemisolvate.
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3-(金刚烷-1-基)-4-甲基-1-[(4-苯基-哌嗪-1-基)甲基]-1H-1,2,4-三唑-5(4H)-二氯硫酮
DOI：
10.1107/s1600536812021393
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发表时间：
2012
期刊：
影响因子：
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通讯作者：
Tiekink,EdwardRT
中科院分区：
文献类型：
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作者：
El-Emam,AliA;Al-Omar,MohamedA;Al-Tamimi,Abdul-MalekS;Ng,SeikWeng;Tiekink,EdwardRT
标题二氯甲烷半溶剂合物的不对称单元C24 H33 N5 S·0.5CH2Cl2由金刚烷基/三唑衍生物和半个CH 2Cl 2结晶分子组成;后者是关于双重对称轴无序的。哌嗪环具有椅式构象，两个N-键合取代基占据赤道位置。哌嗪残基几乎垂直于三唑环[N-N-C-N扭转角= −79.9（3）°]，因此在一级近似下，分子呈L形。 平行于[001]的线性超分子链通过C-H-S相互作用形成。两个这样的链通过C-H-Cl相互作用连接成一个双链，其中包括溶剂化的无序CH 2Cl 2分子。
The asymmetric unit of the title dichloromethane hemisolvate, C24H33N5S·0.5CH2Cl2, comprises an adamantanyl/triazole derivative and half a CH2Cl2 molecule of crystallization; the latter is disordered about a twofold axis of symmetry. The piperazine ring has a chair conformation and the two N-bound substituents occupy equatorial positions. The piperazine residue is almost normal to the triazole ring [N—N—C—N torsion angle = −79.9 (3)°] so that to a first approximation, the molecule has an L-shape. Linear supramolecular chains parallel to [001] are formed via C—H⋯S interactions. Two such chains are linked into a double chain via C—H⋯Cl interactions involving the disordered CH2Cl2 molecules of solvation.