3,4,5-三羟基苯甲酸一水合物的第三种单斜晶系多晶型物。
A third monoclinic polymorph of 3,4,5-trihy-droxy-benzoic acid monohydrate.
作者信息
Demirtaş Güneş, Dege Necmi, Büyükgüngör Orhan
机构信息
Department of Physics, Arts and Sciences Faculty, Ondokuz Mayıs University, 55139 Samsun, Turkey.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1509-10. doi: 10.1107/S1600536811018848. Epub 2011 May 25.
Abstract
The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ▶) [Acta Cryst. C56, 594-595] and Okabe et al. (2001 ▶) [Acta Cryst. E57, o764-o766]. The gallic acid mol-ecule is essentially planar (r.m.s. deviation = 0.550 Å). An intra-molecular O-H⋯O hydrogen bond occurs in the gallic acid mol-ecule, which is linked to the water mol-ecule by a further O-H⋯O hydrogen bond. In the crystal, the components are linked by O-H⋯O hydrogen bonds. The hydrogen-bonding pattern differs from those reported for the previous polymorphs.
摘要
标题化合物C(7)H(6)O(5)·H(2)O是Jiang等人（2000 ▶）[《晶体学报》C56, 594 - 595]和Okabe等人（2001 ▶）[《晶体学报》E57, o764 - o766]报道的结构的一种新多晶型物。没食子酸分子基本呈平面状（均方根偏差 = 0.550 Å）。没食子酸分子内存在O—H⋯O氢键，该分子通过另一个O—H⋯O氢键与水分子相连。在晶体中，各组分通过O—H⋯O氢键相连。氢键模式与之前报道的多晶型物不同。
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