{"title":"Crystal structure of 1-(2,6-diisopropylphenyl)-1H-imidazole","authors":"Neil Dudeja , Briana C. Arreaga , Jacob P. Brannon , S. Chantal E. Stieber , 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}
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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.
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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