Erik Uran , Andrej Emanuel Cotman , Matic Lozinšek
{"title":"Methyl 2-amino-4-(morpholin-4-yl)benzo[d]thiazole-6-carboxylate tetartohydrate","authors":"Erik Uran , Andrej Emanuel Cotman , Matic Lozinšek","doi":"10.1107/S2414314624012495","DOIUrl":null,"url":null,"abstract":"<div><div>The crystal structure of a hydrate of the title benzo[<em>d</em>]thiazole derivate is reported, which features a complex hydrogen-bonded network.</div></div><div><div>The title compound, C<sub>13</sub>H<sub>15</sub>N<sub>3</sub>O<sub>3</sub>S·0.25H<sub>2</sub>O, crystallizes in the triclinic space group <em>P</em>1 and features four organic molecules in the asymmetric unit alongside one water molecule. The extended structure exhibits both hydrogen bonds (O—H⋯O, N—H⋯O and N—H⋯N) and chalcogen (C—S⋯O) contacts, leading to a complex three-dimensional network.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (227KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799776/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314625000033","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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Abstract
The crystal structure of a hydrate of the title benzo[d]thiazole derivate is reported, which features a complex hydrogen-bonded network.
The title compound, C13H15N3O3S·0.25H2O, crystallizes in the triclinic space group P1 and features four organic molecules in the asymmetric unit alongside one water molecule. The extended structure exhibits both hydrogen bonds (O—H⋯O, N—H⋯O and N—H⋯N) and chalcogen (C—S⋯O) contacts, leading to a complex three-dimensional network.
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