4-溴-5,7-二甲氧基-2,3-二氢-1H-茚-1-酮的晶体结构

Sri Hari Galla , Jayalakshmi Sridhar , Joel T. Mague , Xiaodong Zhang , Kira D. White , Qiang Zhang , James P. Donahue
{"title":"4-溴-5,7-二甲氧基-2,3-二氢-1H-茚-1-酮的晶体结构","authors":"Sri Hari Galla ,&nbsp;Jayalakshmi Sridhar ,&nbsp;Joel T. Mague ,&nbsp;Xiaodong Zhang ,&nbsp;Kira D. White ,&nbsp;Qiang Zhang ,&nbsp;James P. Donahue","doi":"10.1107/S2056989024006522","DOIUrl":null,"url":null,"abstract":"<div><p>In the title mol­ecule, C<sub>11</sub>H<sub>11</sub>BrO<sub>3</sub>, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the <em>a-</em>axis directions, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds.</p></div><div><p>In the title mol­ecule, C<sub>11</sub>H<sub>11</sub>BrO<sub>3</sub>, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the <em>a-</em>axis direction, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds. A Hirshfeld surface analysis was performed showing H⋯H, O⋯H/H⋯O and Br⋯H/H⋯Br contacts make the largest contributions to inter­molecular inter­actions in the crystal.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 873-877"},"PeriodicalIF":0.5000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of 4-bromo-5,7-dimeth­oxy-2,3-di­hydro-1H-inden-1-one\",\"authors\":\"Sri Hari Galla ,&nbsp;Jayalakshmi Sridhar ,&nbsp;Joel T. Mague ,&nbsp;Xiaodong Zhang ,&nbsp;Kira D. White ,&nbsp;Qiang Zhang ,&nbsp;James P. Donahue\",\"doi\":\"10.1107/S2056989024006522\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In the title mol­ecule, C<sub>11</sub>H<sub>11</sub>BrO<sub>3</sub>, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the <em>a-</em>axis directions, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds.</p></div><div><p>In the title mol­ecule, C<sub>11</sub>H<sub>11</sub>BrO<sub>3</sub>, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the <em>a-</em>axis direction, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds. A Hirshfeld surface analysis was performed showing H⋯H, O⋯H/H⋯O and Br⋯H/H⋯Br contacts make the largest contributions to inter­molecular inter­actions in the crystal.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 8\",\"pages\":\"Pages 873-877\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-08-01\",\"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/S2056989024001695\",\"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/S2056989024001695","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

摘要

在标题分子 C11H11BrO3 中,二氢茚分子基本上是平面的,但五元环的饱和部分略有扭曲。甲氧基靠近上述平面。在晶体中,六元环之间的 π 堆积相互作用形成了沿 a 轴方向延伸的分子堆,这些分子堆通过弱的 C-H...O 和 C-H...Br 氢键相连。进行的 Hirshfeld 表面分析表明,H...H、O...H/H...O 和 Br...H/H...Br 接触对晶体中的分子间相互作用贡献最大。
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
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Crystal structure of 4-bromo-5,7-dimeth­oxy-2,3-di­hydro-1H-inden-1-one

In the title mol­ecule, C11H11BrO3, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the a-axis directions, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds.

In the title mol­ecule, C11H11BrO3, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the a-axis direction, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds. A Hirshfeld surface analysis was performed showing H⋯H, O⋯H/H⋯O and Br⋯H/H⋯Br contacts make the largest contributions to inter­molecular inter­actions in the crystal.

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
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
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.
期刊最新文献
Foreword to the AfCA collection: celebrating work published by African researchers in IUCr journals. Synthesis, crystal structure and Hirshfeld surface of ethyl 2-[2-(methyl­sulfan­yl)-5-oxo-4,4-diphenyl-4,5-di­hydro-1H-imidazol-1-yl]acetate (thio­phenytoin derivative) Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-di­hydro­quinoxalin-2(1H)-one Crystal structure of bis­(β-alaninium) tetra­bromidoplumbate Puckering effects of 4-hy­droxy-l-proline isomers on the conformation of ornithine-free Gramicidin S
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1