Anastasia A. Pronina , Alexandra G. Podrezova , Mikhail S. Grigoriev , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Ajaya Bhattarai , J. Ellena (Editor)
{"title":"1-[6-bromo-2-(4-fluoro-phen-yl)-1,2,3,4-tetra-hydroquinolin-4-yl]pyrrolidin-2-one 的晶体结构和 Hirshfeld 表面分析。","authors":"Anastasia A. Pronina , Alexandra G. Podrezova , Mikhail S. Grigoriev , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Ajaya Bhattarai , J. Ellena (Editor)","doi":"10.1107/S2056989024005826","DOIUrl":null,"url":null,"abstract":"<div><p>In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect molecules into ribbons along the <em>b</em>-axis direction, consolidating the molecular packing.</p></div><div><p>In the title compound, C<sub>19</sub>H<sub>18</sub>BrFN<sub>2</sub>O, the pyrrolidine ring adopts an envelope conformation. In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect molecules into ribbons along the <em>b</em>-axis direction, consolidating the molecular packing. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 7","pages":"Pages 777-782"},"PeriodicalIF":0.5000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223703/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one\",\"authors\":\"Anastasia A. Pronina , Alexandra G. Podrezova , Mikhail S. Grigoriev , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Ajaya Bhattarai , J. Ellena (Editor)\",\"doi\":\"10.1107/S2056989024005826\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect molecules into ribbons along the <em>b</em>-axis direction, consolidating the molecular packing.</p></div><div><p>In the title compound, C<sub>19</sub>H<sub>18</sub>BrFN<sub>2</sub>O, the pyrrolidine ring adopts an envelope conformation. In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect molecules into ribbons along the <em>b</em>-axis direction, consolidating the molecular packing. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 7\",\"pages\":\"Pages 777-782\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223703/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/S2056989024001452\",\"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/S2056989024001452","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect molecules into ribbons along the b-axis direction, consolidating the molecular packing.
In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope conformation. In the crystal, molecules are linked by intermolecular N—H⋯O, C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π interactions connect molecules into ribbons along the b-axis direction, consolidating the molecular packing. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.
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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