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Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile

The title compound, C(12)H(10)Br(2)N(2)O(2), represents an example of a planar π-con­jugated 2-aza­butadiene mol­ecule, which is both an inter­esting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric mol­ecular parameter...

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Autores principales: Chaabene, Marwa, Khatyr, Abderrahim, Knorr, Michael, Askri, Moheddine, Rousselin, Yoann, Kubicki, Marek M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971864/
https://www.ncbi.nlm.nih.gov/pubmed/27536405
http://dx.doi.org/10.1107/S2056989016011075
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author Chaabene, Marwa
Khatyr, Abderrahim
Knorr, Michael
Askri, Moheddine
Rousselin, Yoann
Kubicki, Marek M.
author_facet Chaabene, Marwa
Khatyr, Abderrahim
Knorr, Michael
Askri, Moheddine
Rousselin, Yoann
Kubicki, Marek M.
author_sort Chaabene, Marwa
collection PubMed
description The title compound, C(12)H(10)Br(2)N(2)O(2), represents an example of a planar π-con­jugated 2-aza­butadiene mol­ecule, which is both an inter­esting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric mol­ecular parameters are typical for the family of 2-aza­buta-1,3-dienes not substituted at the (CH) 3-position. In the crystal, the almost planar (r.m.s. deviation = 0.0658 Å) aza­diene mol­ecules form one-dimensional double-wide ribbons through inter­molecular halogen bonds (C—Br⋯O and C—Br⋯Br—C), which then stack in a slipped manner through weak C—H⋯Br and π–π inter­actions to generate a three-dimensional network.
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spelling pubmed-49718642016-08-17 Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile Chaabene, Marwa Khatyr, Abderrahim Knorr, Michael Askri, Moheddine Rousselin, Yoann Kubicki, Marek M. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(12)H(10)Br(2)N(2)O(2), represents an example of a planar π-con­jugated 2-aza­butadiene mol­ecule, which is both an inter­esting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric mol­ecular parameters are typical for the family of 2-aza­buta-1,3-dienes not substituted at the (CH) 3-position. In the crystal, the almost planar (r.m.s. deviation = 0.0658 Å) aza­diene mol­ecules form one-dimensional double-wide ribbons through inter­molecular halogen bonds (C—Br⋯O and C—Br⋯Br—C), which then stack in a slipped manner through weak C—H⋯Br and π–π inter­actions to generate a three-dimensional network. International Union of Crystallography 2016-07-22 /pmc/articles/PMC4971864/ /pubmed/27536405 http://dx.doi.org/10.1107/S2056989016011075 Text en © Chaabene et al. 2016 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 Research Communications
Chaabene, Marwa
Khatyr, Abderrahim
Knorr, Michael
Askri, Moheddine
Rousselin, Yoann
Kubicki, Marek M.
Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile
title Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile
title_full Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile
title_fullStr Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile
title_full_unstemmed Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile
title_short Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile
title_sort crystal structure of 4,4-di­bromo-1-(3,4-di­meth­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971864/
https://www.ncbi.nlm.nih.gov/pubmed/27536405
http://dx.doi.org/10.1107/S2056989016011075
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