Crystal structure of 1-(2,6-diiso­propyl­phen­yl)-1H-imidazole

IF 0.5 Q4 CRYSTALLOGRAPHY
Neil Dudeja , Briana C. Arreaga , Jacob P. Brannon , S. Chantal E. Stieber , S.-L. Zheng (Editor)
{"title":"Crystal structure of 1-(2,6-diiso­propyl­phen­yl)-1H-imidazole","authors":"Neil Dudeja ,&nbsp;Briana C. Arreaga ,&nbsp;Jacob P. Brannon ,&nbsp;S. Chantal E. Stieber ,&nbsp;S.-L. Zheng (Editor)","doi":"10.1107/S2056989023009179","DOIUrl":null,"url":null,"abstract":"<div><p>At 106 (2) K, the title mol­ecule has monoclinic <em>P</em>2<sub>1</sub>/c symmetry with four mol­ecules in the unit cell. The imidazole ring is rotated 80.7 (1)° relative to the phenyl ring. Inter­molecular stabilization primarily results from close contacts between the N-atom at the 3-position on the imidazole ring and the C—H bond at the 4-position on the neighboring <sup>Dipp</sup>Im.</p></div><div><p>The crystal structure of the title compound, C<sub>15</sub>H<sub>20</sub>N<sub>2</sub> or <sup>Dipp</sup>Im, is reported. At 106 (2) K, the mol­ecule has monoclinic <em>P</em>2<sub>1</sub>/c symmetry with four mol­ecules in the unit cell. The imidazole ring is rotated 80.7 (1)° relative to the phenyl ring. Inter­molecular stabilization primarily results from close contacts between the N atom at the 3-position on the imidazole ring and the C—H bond at the 4-position on the neighboring <sup>Dipp</sup>Im, with ar­yl–aryl distances outside of the accepted distance of 5 Å for π-stacking.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"79 11","pages":"Pages 1079-1082"},"PeriodicalIF":0.5000,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626946/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/S2056989023003225","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

At 106 (2) K, the title mol­ecule has monoclinic P21/c symmetry with four mol­ecules in the unit cell. The imidazole ring is rotated 80.7 (1)° relative to the phenyl ring. Inter­molecular stabilization primarily results from close contacts between the N-atom at the 3-position on the imidazole ring and the C—H bond at the 4-position on the neighboring DippIm.

The crystal structure of the title compound, C15H20N2 or DippIm, is reported. At 106 (2) K, the mol­ecule has monoclinic P21/c symmetry with four mol­ecules in the unit cell. The imidazole ring is rotated 80.7 (1)° relative to the phenyl ring. Inter­molecular stabilization primarily results from close contacts between the N atom at the 3-position on the imidazole ring and the C—H bond at the 4-position on the neighboring DippIm, with ar­yl–aryl distances outside of the accepted distance of 5 Å for π-stacking.

Abstract Image

Abstract Image

Abstract Image

1-(2,6-二异丙基-苯基)-1H-咪唑的晶体结构。
报道了标题化合物C15H20N2或DipIm的晶体结构。在106 (2) K、 摩尔ecule具有单斜P21/c对称性,晶胞中有四个摩尔ecule。咪唑环旋转80.7 (1) °。分子间稳定主要是由于咪唑环上3位的N原子和相邻DipIm上4位的C-H键之间的紧密接触,芳基距离在可接受的5 Å表示π-堆积。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
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.
×
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
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信