1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate.
作者信息
Yang Yan-Yun, Xu Liang, Kang Ting-Guo, Chen Ting, Wu Ping
机构信息
Liaoning University of Traditional Chinese Medicine, Dalian 116600, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1964. doi: 10.1107/S1600536812023550. Epub 2012 May 31.
Abstract
In the title hydrated mol-ecular salt, C(11)H(14)N(3)O(+)·Br(-)·H(2)O, the Br(-) anion is split and appears as two independent half-occupied Br(-) anions on twofold rotation axes. The dihedral angle between the phenyl ring and the mean plane of the 2,3-dihydro-1H-pyrazole ring (r.m.s. devation = 0.014 Å) is 62.43 (7)°. In the crystal, the components are connected via O-H⋯Br and N-H⋯O hydrogen bonds to form a one-dimensional polymeric structure propagating along [001].
摘要
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