Trihexyphenidyl hydro-chloride: a powder diffraction study.
Trihexyphenidyl hydro-chloride: a powder diffraction study.
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DOI：
10.1107/s1600536810035294
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发表时间：
2010-09-04
期刊：
影响因子：
--
通讯作者：
Masciocchi N
中科院分区：
文献类型：
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作者：
Maccaroni E;Malpezzi L;Masciocchi N
在标题化合物[系统名称：1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)piperidinium氯]的阳离子C20H32NO+·CL−中，环己基环和哌啶环呈椅型构象。在晶体结构中，阳离子和阴离子通过O-H⋯Cl和N-H⋯Cl氢键沿着c轴方向连接成链。弱的分子间C-H⋯Cl相互作用进一步将这些链连接成平行于BC平面的层。从外消旋溶液中得到的盐在手性的P21212空间群中结晶，表明在没有任何明显的手性诱导过程的情况下，多晶粉末由R和S对映体的等效混合物组成，形成外消旋集团。
In the cation of the title compound [systematic name: 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)piperidinium chloride], C20H32NO+·Cl−, the cyclohexyl and piperidine rings are in chair conformations. In the crystal structure, cations and anions are linked into chains along the c-axis direction via O—H⋯Cl and N—H⋯Cl hydrogen bonds. Weak intermolecular C—H⋯Cl interactions link further these chains into layers parallel to the bc plane. The salt, obtained from a racemic solution, was found to crystallize in the chiral P21212 space group, indicating that, in the absence of any evident chirality-inducing process, the polycrystalline powders consist of an equivalent mixture of R and S enantiomers, forming a racemic conglomerate.