柠檬酸莫沙必利二水合物的 X 射线粉末衍射数据

IF 0.3 4区材料科学 Q4 MATERIALS SCIENCE, CHARACTERIZATION & TESTING Powder Diffraction Pub Date : 2024-09-18 DOI:10.1017/s088571562400040x

Analio J. Dugarte-Dugarte, Robert A. Toro, José Antonio Henao, Graciela Díaz de Delgado, José Miguel Delgado

{"title":"柠檬酸莫沙必利二水合物的 X 射线粉末衍射数据","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 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.","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":"{\"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 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.\",\"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}","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

摘要

我们在室温下记录了枸橼酸莫沙必利二水合物（一种用于刺激胃肠道蠕动的原料药）的 X 射线粉末衍射数据，这些数据以前未编入索引。利用这些数据，我们在空间群 P21/c (No. 14) 中完善了这种原料药的晶体结构：a = 18.707(4) Å, b = 9.6187(1) Å, c = 18.2176(4) Å, β = 114.164(1)°, V = 2990.74(8) Å3, Z = 4。利用 TOPAS-Academic 进行的里特维尔德细化证明了样品的单一性和所记录数据的质量。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

X-ray powder diffraction data for mosapride dihydrogen citrate dihydrate

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.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

$Powder Diffraction$

Powder Diffraction 工程技术-材料科学：表征与测试

CiteScore

0.90

自引率

0.00%

发文量

审稿时长

>12 weeks

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).