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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4971864 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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