5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one

The title compound, C(13)H(9)N(3)O(3), crystallizes with two identical but differently oriented mol­ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39 (7)°. The two prop-2-ynyl chains are located on opposite sides of the mol­ecule and ar...

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Autores principales: Kandri Rodi, Youssef, Misbahi, Khalid, El-Ghayoury, Abdelkrim, Zorina, Leokadiya, Essassi, El Mokhtar, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770420/
https://www.ncbi.nlm.nih.gov/pubmed/24046705
http://dx.doi.org/10.1107/S1600536813016814
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author Kandri Rodi, Youssef
Misbahi, Khalid
El-Ghayoury, Abdelkrim
Zorina, Leokadiya
Essassi, El Mokhtar
El Ammari, Lahcen
author_facet Kandri Rodi, Youssef
Misbahi, Khalid
El-Ghayoury, Abdelkrim
Zorina, Leokadiya
Essassi, El Mokhtar
El Ammari, Lahcen
author_sort Kandri Rodi, Youssef
collection PubMed
description The title compound, C(13)H(9)N(3)O(3), crystallizes with two identical but differently oriented mol­ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39 (7)°. The two prop-2-ynyl chains are located on opposite sides of the mol­ecule and are nearly perpendicular to the fused ring plane, as indicated by the C—N—C—C torsion angles in the range 106.0 (3)–113.4 (3)°. In the crystal, the two mol­ecules are linked through C—H⋯O hydrogen bonds into dimers, which are subsequently linked by further C—H⋯O inter­actions, building a three-dimensional network.
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spelling pubmed-37704202013-09-17 5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one Kandri Rodi, Youssef Misbahi, Khalid El-Ghayoury, Abdelkrim Zorina, Leokadiya Essassi, El Mokhtar El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(9)N(3)O(3), crystallizes with two identical but differently oriented mol­ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39 (7)°. The two prop-2-ynyl chains are located on opposite sides of the mol­ecule and are nearly perpendicular to the fused ring plane, as indicated by the C—N—C—C torsion angles in the range 106.0 (3)–113.4 (3)°. In the crystal, the two mol­ecules are linked through C—H⋯O hydrogen bonds into dimers, which are subsequently linked by further C—H⋯O inter­actions, building a three-dimensional network. International Union of Crystallography 2013-06-26 /pmc/articles/PMC3770420/ /pubmed/24046705 http://dx.doi.org/10.1107/S1600536813016814 Text en © Kandri Rodi 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
Kandri Rodi, Youssef
Misbahi, Khalid
El-Ghayoury, Abdelkrim
Zorina, Leokadiya
Essassi, El Mokhtar
El Ammari, Lahcen
5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one
title 5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one
title_full 5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one
title_fullStr 5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one
title_full_unstemmed 5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one
title_short 5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one
title_sort 5-nitro-1,3-bis­(prop-2-yn­yl)-1h-1,3-benzimidazol-2(3h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770420/
https://www.ncbi.nlm.nih.gov/pubmed/24046705
http://dx.doi.org/10.1107/S1600536813016814
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