Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline

In the title compound, C(11)H(7)Br(3)ClN, the quinoline ring system is approximately planar (r.m.s. = 0.011 Å). In the crystal, mol­ecules are linked by C—H⋯Br inter­actions forming chains along [10-1]. The chains are linked by C—H⋯π and π–π inter­actions involving inversion-related pyridine rings [...

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Autores principales: Gayathri, Kasirajan, Mohan, Palathurai S., Howard, Judith A. K., Sparkes, Hazel A.
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/PMC4420095/
https://www.ncbi.nlm.nih.gov/pubmed/25995945
http://dx.doi.org/10.1107/S2056989015008002
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author Gayathri, Kasirajan
Mohan, Palathurai S.
Howard, Judith A. K.
Sparkes, Hazel A.
author_facet Gayathri, Kasirajan
Mohan, Palathurai S.
Howard, Judith A. K.
Sparkes, Hazel A.
author_sort Gayathri, Kasirajan
collection PubMed
description In the title compound, C(11)H(7)Br(3)ClN, the quinoline ring system is approximately planar (r.m.s. = 0.011 Å). In the crystal, mol­ecules are linked by C—H⋯Br inter­actions forming chains along [10-1]. The chains are linked by C—H⋯π and π–π inter­actions involving inversion-related pyridine rings [inter­centroid distance = 3.608 (4) Å], forming sheets parallel to (10-1). Within the sheets, there are two significant short inter­actions involving a Br⋯Cl contact of 3.4904 (18) Å and a Br⋯N contact of 3.187 (6) Å, both of which are significantly shorter than the sum of their van der Waals radii.
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spelling pubmed-44200952015-05-20 Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline Gayathri, Kasirajan Mohan, Palathurai S. Howard, Judith A. K. Sparkes, Hazel A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(11)H(7)Br(3)ClN, the quinoline ring system is approximately planar (r.m.s. = 0.011 Å). In the crystal, mol­ecules are linked by C—H⋯Br inter­actions forming chains along [10-1]. The chains are linked by C—H⋯π and π–π inter­actions involving inversion-related pyridine rings [inter­centroid distance = 3.608 (4) Å], forming sheets parallel to (10-1). Within the sheets, there are two significant short inter­actions involving a Br⋯Cl contact of 3.4904 (18) Å and a Br⋯N contact of 3.187 (6) Å, both of which are significantly shorter than the sum of their van der Waals radii. International Union of Crystallography 2015-04-30 /pmc/articles/PMC4420095/ /pubmed/25995945 http://dx.doi.org/10.1107/S2056989015008002 Text en © Gayathri et al. 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
Gayathri, Kasirajan
Mohan, Palathurai S.
Howard, Judith A. K.
Sparkes, Hazel A.
Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline
title Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline
title_full Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline
title_fullStr Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline
title_full_unstemmed Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline
title_short Crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline
title_sort crystal structure of 3-bromo­methyl-2-chloro-6-(di­bromo­meth­yl)quinoline
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420095/
https://www.ncbi.nlm.nih.gov/pubmed/25995945
http://dx.doi.org/10.1107/S2056989015008002
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