消旋-5-乙酰基-6-羟基-3,6-二甲基-4-苯基-2H-4,5,6,7-四氢吲唑-1-氯化铵
rac-5-Acetyl-6-hy-droxy-3,6-dimethyl-4-phenyl-2H-4,5,6,7-tetra-hydro-indazol-1-ium chloride.
作者信息
Maharramov Abel M, Ismiyev Arif I, Rashidov Bahruz A, Askerov Rizvan K, Khrustalev Victor N
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1848. doi: 10.1107/S1600536810024281.
Abstract
The structure of the title compound, C(17)H(21)N(2)O(2) (+)·Cl(-), is of inter-est with respect to its biological activity. The title compound comprises an organic cation and a chloride anion in the asymmetric unit. The positive charge is localized in a pyrazole moiety forming a pyrazolium cation. The structure displays inter-molecular O-H⋯Cl and N-H⋯Cl hydrogen bonding.
摘要
标题化合物C(17)H(21)N(2)O(2) (+)·Cl(-)的结构因其生物活性而备受关注。标题化合物在不对称单元中包含一个有机阳离子和一个氯离子阴离子。正电荷定域在吡唑部分形成一个吡唑鎓阳离子。该结构呈现出分子间O-H⋯Cl和N-H⋯Cl氢键。
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本文引用的文献
1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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