Anna M. Shaposhnyk , Vitalii V. Rudiuk , Vyacheslav N. Baumer
{"title":"Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine","authors":"Anna M. Shaposhnyk , Vitalii V. Rudiuk , Vyacheslav N. Baumer","doi":"10.1107/S2056989025003226","DOIUrl":null,"url":null,"abstract":"<div><div>The molecular and crystal structures of ketorolac tromethamine are reported. In the crystal, molecules are connected by N—H⋯O and O—H⋯O hydrogen bonds, forming a two-dimensional layer in the (100) plane.</div></div><div><div>Ketorolac tromethamine or 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 5-benzoyl-2,3-dihydro-1<em>H</em>-pyrrolizine-1-carboxylate, C<sub>15</sub>H<sub>12</sub>NO<sub>3</sub><sup>+</sup>·C<sub>4</sub>H<sub>12</sub>NO<sub>3</sub><sup>−</sup>, 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 hydrogen bonds link the cation and anion. All the hydrogen-bond interactions result in the formation of a di-periodic layer in the (100) crystallographic plane.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 5","pages":"Pages 433-437"},"PeriodicalIF":0.5000,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025000866","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
The molecular and crystal structures of ketorolac tromethamine are reported. In the crystal, molecules are connected by N—H⋯O and O—H⋯O hydrogen bonds, forming a two-dimensional layer in the (100) plane.
Ketorolac tromethamine or 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate, C15H12NO3+·C4H12NO3−, 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 hydrogen bonds link the cation and anion. All the hydrogen-bond interactions result in the formation of a di-periodic layer in the (100) crystallographic plane.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.