Analio J. Dugarte-Dugarte, Robert A. Toro, José Antonio Henao, Graciela Díaz de Delgado, José Miguel Delgado
{"title":"X-ray powder diffraction data for mosapride dihydrogen citrate dihydrate","authors":"Analio J. Dugarte-Dugarte, Robert A. Toro, José Antonio Henao, Graciela Díaz de Delgado, José Miguel Delgado","doi":"10.1017/s088571562400040x","DOIUrl":null,"url":null,"abstract":"The previously unindexed laboratory X-ray powder diffraction data of mosapride dihydrogen citrate dihydrate, an API used to stimulate gastrointestinal motility, has been recorded at room temperature. Using these data, the crystal structure of this API has been refined in space group <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>/<jats:italic>c</jats:italic> (No. 14) with <jats:italic>a</jats:italic> = 18.707(4) Å, <jats:italic>b</jats:italic> = 9.6187(1) Å, <jats:italic>c</jats:italic> = 18.2176(4) Å, <jats:italic>β</jats:italic> = 114.164(1)°, <jats:italic>V</jats:italic> = 2990.74(8) Å<jats:sup>3</jats:sup>, and <jats:italic>Z</jats:italic> = 4. The structure of this material corresponds to the phase associated with CSD Refcode LUWPOL determined at 93 K. The Rietveld refinement, carried out with TOPAS-Academic, proved the single nature of the sample and the quality of the data recorded.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"5 1","pages":""},"PeriodicalIF":0.3000,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Powder Diffraction","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1017/s088571562400040x","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"MATERIALS SCIENCE, CHARACTERIZATION & TESTING","Score":null,"Total":0}
引用次数: 0
Abstract
The previously unindexed laboratory X-ray powder diffraction data of mosapride dihydrogen citrate dihydrate, an API used to stimulate gastrointestinal motility, has been recorded at room temperature. Using these data, the crystal structure of this API has been refined in space group P21/c (No. 14) with a = 18.707(4) Å, b = 9.6187(1) Å, c = 18.2176(4) Å, β = 114.164(1)°, V = 2990.74(8) Å3, and Z = 4. The structure of this material corresponds to the phase associated with CSD Refcode LUWPOL determined at 93 K. The Rietveld refinement, carried out with TOPAS-Academic, proved the single nature of the sample and the quality of the data recorded.
期刊介绍：
Powder Diffraction is a quarterly journal publishing articles, both experimental and theoretical, on the use of powder diffraction and related techniques for the characterization of crystalline materials. It is published by Cambridge University Press (CUP) for the International Centre for Diffraction Data (ICDD).
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