Kseniia A. Alekseeva , Mikhail S. Grigoriev , Irina A. Kolesnik , Narmin A. Murshudlu , Khudayar I. Hasanov , Roya Z. Nazarova , Mehmet Akkurt , Gizachew Mulugeta Manahelohe
{"title":"Crystal structure and Hirshfeld surface analysis of 4-bromo-6-phenyl-6,7-dihydro-5H-furo[2,3-f]isoindol-5-one","authors":"Kseniia A. Alekseeva , Mikhail S. Grigoriev , Irina A. Kolesnik , Narmin A. Murshudlu , Khudayar I. Hasanov , Roya Z. Nazarova , Mehmet Akkurt , Gizachew Mulugeta Manahelohe","doi":"10.1107/S2056989025007170","DOIUrl":null,"url":null,"abstract":"<div><div>The title molecule is essentially planar [r.m.s. deviation = 0.004 Å]. In the crystal, C—H⋯O and C—H⋯Br hydrogen bonds link the molecules, forming ribbons along the <em>b</em>-axis direction. π–π interactions are also observed.</div></div><div><div>The title molecule, C<sub>16</sub>H<sub>10</sub>BrNO<sub>2</sub>, is essentially planar (r.m.s. deviation = 0.004 Å). In the crystal, molecules are linked by C—H⋯O and C—H⋯Br hydrogen bonds, forming ribbons along the <em>b</em>-axis direction. Furthermore, π-π interactions cause the molecules to form ribbons along the [1 0 <blockquote><div><figure><img></figure></div></blockquote>] and [1 0 10] directions [centroid-to-centroid distances = 3.703 (3), 3.734 (3), 3.703 (3), and 3.734 (3) Å]. According to a Hirshfeld surface analysis, H⋯H (33.8%), O⋯H/H⋯O (15.1%), C⋯H/H⋯C (14.6%), Br⋯H/H⋯Br (13.8%), and C⋯C (11.9%) interactions are the main contributors to the crystal packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 9","pages":"Pages 844-848"},"PeriodicalIF":0.6000,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","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/S2056989025001641","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
The title molecule is essentially planar [r.m.s. deviation = 0.004 Å]. In the crystal, C—H⋯O and C—H⋯Br hydrogen bonds link the molecules, forming ribbons along the b-axis direction. π–π interactions are also observed.
The title molecule, C16H10BrNO2, is essentially planar (r.m.s. deviation = 0.004 Å). In the crystal, molecules are linked by C—H⋯O and C—H⋯Br hydrogen bonds, forming ribbons along the b-axis direction. Furthermore, π-π interactions cause the molecules to form ribbons along the [1 0
] and [1 0 10] directions [centroid-to-centroid distances = 3.703 (3), 3.734 (3), 3.703 (3), and 3.734 (3) Å]. According to a Hirshfeld surface analysis, H⋯H (33.8%), O⋯H/H⋯O (15.1%), C⋯H/H⋯C (14.6%), Br⋯H/H⋯Br (13.8%), and C⋯C (11.9%) interactions are the main contributors to the crystal packing.
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.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
