Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene

The title compound, C(18)H(19)I, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. Both mol­ecules have an E conformation about the bridging C=C bond. They differ in the orientation of the two benzene rings; the dihedral angle being 12.3 (5)° in mol­ecule A, but only 1.0...

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Autores principales: Chen, Zhiwei, Moxey, Graeme J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420064/
https://www.ncbi.nlm.nih.gov/pubmed/25995920
http://dx.doi.org/10.1107/S2056989015007185
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author Chen, Zhiwei
Moxey, Graeme J.
author_facet Chen, Zhiwei
Moxey, Graeme J.
author_sort Chen, Zhiwei
collection PubMed
description The title compound, C(18)H(19)I, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. Both mol­ecules have an E conformation about the bridging C=C bond. They differ in the orientation of the two benzene rings; the dihedral angle being 12.3 (5)° in mol­ecule A, but only 1.0 (6)° in mol­ecule B. In the crystal, the individual mol­ecules are linked by C—I⋯π inter­actions forming zigzag A and zigzag B chains propagating along [001]. The structure was refined as an inversion twin [Flack parameter = 0.48 (2)].
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spelling pubmed-44200642015-05-20 Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene Chen, Zhiwei Moxey, Graeme J. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(18)H(19)I, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. Both mol­ecules have an E conformation about the bridging C=C bond. They differ in the orientation of the two benzene rings; the dihedral angle being 12.3 (5)° in mol­ecule A, but only 1.0 (6)° in mol­ecule B. In the crystal, the individual mol­ecules are linked by C—I⋯π inter­actions forming zigzag A and zigzag B chains propagating along [001]. The structure was refined as an inversion twin [Flack parameter = 0.48 (2)]. International Union of Crystallography 2015-04-15 /pmc/articles/PMC4420064/ /pubmed/25995920 http://dx.doi.org/10.1107/S2056989015007185 Text en © Chen and Moxey 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Chen, Zhiwei
Moxey, Graeme J.
Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene
title Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene
title_full Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene
title_fullStr Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene
title_full_unstemmed Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene
title_short Crystal structure of (E)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene
title_sort crystal structure of (e)-1-(4-tert-butyl­phen­yl)-2-(4-iodo­phen­yl)ethene
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420064/
https://www.ncbi.nlm.nih.gov/pubmed/25995920
http://dx.doi.org/10.1107/S2056989015007185
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