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1,3-Diiodo­azulene-2-carbonitrile

In the title compound, C(11)H(5)I(2)N, the two iodine-atom substitutents with their large atomic sizes lead to short intra­molecular I⋯H distances (3.01 Å). In the crystal, the tris­ubstituted azulene system forms π-stacks [centroid–centroid distance = 3.6343 (11) Å] along the a-axis direction, show...

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Detalles Bibliográficos
Autores principales: Förster, Sebastian, Seichter, Wilhelm, Weber, Edwin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647852/
https://www.ncbi.nlm.nih.gov/pubmed/23723818
http://dx.doi.org/10.1107/S1600536813008301
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author Förster, Sebastian
Seichter, Wilhelm
Weber, Edwin
author_facet Förster, Sebastian
Seichter, Wilhelm
Weber, Edwin
author_sort Förster, Sebastian
collection PubMed
description In the title compound, C(11)H(5)I(2)N, the two iodine-atom substitutents with their large atomic sizes lead to short intra­molecular I⋯H distances (3.01 Å). In the crystal, the tris­ubstituted azulene system forms π-stacks [centroid–centroid distance = 3.6343 (11) Å] along the a-axis direction, showing the characteristic azulene inter­action mode between the electron-rich five-membered ring and the electron-deficient seven-membered ring. I⋯I [3.9129 (2) Å] non-covalent contacts are observed along with weak C—H⋯N and C—H⋯π. bonds.
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spelling pubmed-36478522013-05-30 1,3-Diiodo­azulene-2-carbonitrile Förster, Sebastian Seichter, Wilhelm Weber, Edwin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(5)I(2)N, the two iodine-atom substitutents with their large atomic sizes lead to short intra­molecular I⋯H distances (3.01 Å). In the crystal, the tris­ubstituted azulene system forms π-stacks [centroid–centroid distance = 3.6343 (11) Å] along the a-axis direction, showing the characteristic azulene inter­action mode between the electron-rich five-membered ring and the electron-deficient seven-membered ring. I⋯I [3.9129 (2) Å] non-covalent contacts are observed along with weak C—H⋯N and C—H⋯π. bonds. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647852/ /pubmed/23723818 http://dx.doi.org/10.1107/S1600536813008301 Text en © Förster et al. 2013 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 Organic Papers
Förster, Sebastian
Seichter, Wilhelm
Weber, Edwin
1,3-Diiodo­azulene-2-carbonitrile
title 1,3-Diiodo­azulene-2-carbonitrile
title_full 1,3-Diiodo­azulene-2-carbonitrile
title_fullStr 1,3-Diiodo­azulene-2-carbonitrile
title_full_unstemmed 1,3-Diiodo­azulene-2-carbonitrile
title_short 1,3-Diiodo­azulene-2-carbonitrile
title_sort 1,3-diiodo­azulene-2-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647852/
https://www.ncbi.nlm.nih.gov/pubmed/23723818
http://dx.doi.org/10.1107/S1600536813008301
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