Navneet Goyal , James P. Donahue , Anthony Thompson , Xiaodong Zhang , Joel T. Mague , Maryam Foroozesh , J. Reibenspies (Editor)
{"title":"Ethyl 2-[(2-oxo-2H-chromen-6-yl)-oxy]acetate.","authors":"Navneet Goyal , James P. Donahue , Anthony Thompson , Xiaodong Zhang , Joel T. Mague , Maryam Foroozesh , J. Reibenspies (Editor)","doi":"10.1107/S2056989024004729","DOIUrl":null,"url":null,"abstract":"<div><p>Ethyl 2-[(2-oxo-2<em>H</em>-chromen-6-yl)oxy]acetate, a coumarin derivative, crystallizes in sheets, within which molecules are held by weak C—H⋯O hydrogen-bonding interactions and between which molecules interact by π–π stacking and additional C—H⋯O weak hydrogen bonds between ethyl acetoxy groups.</p></div><div><p>Ethyl 2-[(2-oxo-2<em>H</em>-chromen-6-yl)oxy]acetate, C<sub>13</sub>H<sub>12</sub>O<sub>5</sub>, a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic <em>C</em>2/<em>c</em> space group in the form of sheets, within which molecules are related by inversion centers and 2<sub>1</sub> axes. Multiple C—H⋯O weak hydrogen-bonding interactions reinforce this pattern. The planes of these sheets are oriented in the approximate direction of the <em>ac</em> face diagonal. Intersheet interactions are a combination of coumarin system π–π stacking and additional C—H⋯O weak hydrogen bonds between ethyl acetoxy groups.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 659-662"},"PeriodicalIF":0.5000,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151299/pdf/","citationCount":"0","resultStr":"{\"title\":\"Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate\",\"authors\":\"Navneet Goyal , James P. Donahue , Anthony Thompson , Xiaodong Zhang , Joel T. Mague , Maryam Foroozesh , J. Reibenspies (Editor)\",\"doi\":\"10.1107/S2056989024004729\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Ethyl 2-[(2-oxo-2<em>H</em>-chromen-6-yl)oxy]acetate, a coumarin derivative, crystallizes in sheets, within which molecules are held by weak C—H⋯O hydrogen-bonding interactions and between which molecules interact by π–π stacking and additional C—H⋯O weak hydrogen bonds between ethyl acetoxy groups.</p></div><div><p>Ethyl 2-[(2-oxo-2<em>H</em>-chromen-6-yl)oxy]acetate, C<sub>13</sub>H<sub>12</sub>O<sub>5</sub>, a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic <em>C</em>2/<em>c</em> space group in the form of sheets, within which molecules are related by inversion centers and 2<sub>1</sub> axes. Multiple C—H⋯O weak hydrogen-bonding interactions reinforce this pattern. The planes of these sheets are oriented in the approximate direction of the <em>ac</em> face diagonal. Intersheet interactions are a combination of coumarin system π–π stacking and additional C—H⋯O weak hydrogen bonds between ethyl acetoxy groups.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 6\",\"pages\":\"Pages 659-662\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151299/pdf/\",\"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/S2056989024001245\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001245","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate, a coumarin derivative, crystallizes in sheets, within which molecules are held by weak C—H⋯O hydrogen-bonding interactions and between which molecules interact by π–π stacking and additional C—H⋯O weak hydrogen bonds between ethyl acetoxy groups.
Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate, C13H12O5, a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic C2/c space group in the form of sheets, within which molecules are related by inversion centers and 21 axes. Multiple C—H⋯O weak hydrogen-bonding interactions reinforce this pattern. The planes of these sheets are oriented in the approximate direction of the ac face diagonal. Intersheet interactions are a combination of coumarin system π–π stacking and additional C—H⋯O weak hydrogen bonds between ethyl acetoxy groups.
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.
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