酮咯酸氨丁三醇的晶体结构和 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine.
作者信息
Shaposhnyk Anna M, Rudiuk Vitalii V, Baumer Vyacheslav N
机构信息
Institute of Functional Materials Chemistry SSI 'Institute for Single Crystals' NAS of Ukraine 60 Nauky Ave Kharkiv 61001 Ukraine.
Farmak JSC, 63 Kyrylivska str., Kyiv 04080, Ukraine.
出版信息
Acta Crystallogr E Crystallogr Commun. 2025 Apr 24;81(Pt 5):433-437. doi: 10.1107/S2056989025003226. eCollection 2025 May 1.
Abstract
Ketorolac tromethamine or 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-am-inium 5-benzoyl-2,3-di-hydro-1-pyrrolizine-1-carboxyl-ate, CHNO ·CHNO , was studied by single-crystal and powder X-ray diffraction methods. One cation and one anion are present in the asymmetric unit. In the crystal, N-H⋯O and O-H⋯O hy-dro-gen bonds link the cation and anion. All the hy-dro-gen-bond inter-actions result in the formation of a di-periodic layer in the (100) crystallographic plane.
摘要
通过单晶和粉末X射线衍射方法对酮咯酸氨丁三醇或1,3 - 二羟基 - 2 -（羟甲基）丙烷 - 2 - 铵5 - 苯甲酰基 - 2,3 - 二氢 - 1 - 吡咯嗪 - 1 - 羧酸盐（CHNO·CHNO）进行了研究。不对称单元中存在一个阳离子和一个阴离子。在晶体中，N - H⋯O和O - H⋯O氢键将阳离子和阴离子连接起来。所有氢键相互作用导致在（100）晶面上形成双周期层。
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