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

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

The title compound, C13H9N3O3, 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 molecu...

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Main Authors: Youssef Kandri Rodi, Khalid Misbahi, Abdelkrim El-Ghayoury, Leokadiya Zorina, El Mokhtar Essassi, Lahcen El Ammari
Format: Article
Language:English
Published: International Union of Crystallography 2013-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813016814
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spelling doaj-4f24388df6c34a34a33efb1b59b544122020-11-24T21:26:06ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-07-01697o1159o115910.1107/S16005368130168145-Nitro-1,3-bis(prop-2-ynyl)-1H-1,3-benzimidazol-2(3H)-oneYoussef Kandri RodiKhalid MisbahiAbdelkrim El-GhayouryLeokadiya ZorinaEl Mokhtar EssassiLahcen El AmmariThe title compound, C13H9N3O3, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536813016814
collection DOAJ
language English
format Article
sources DOAJ
author Youssef Kandri Rodi
Khalid Misbahi
Abdelkrim El-Ghayoury
Leokadiya Zorina
El Mokhtar Essassi
Lahcen El Ammari
spellingShingle Youssef Kandri Rodi
Khalid Misbahi
Abdelkrim El-Ghayoury
Leokadiya Zorina
El Mokhtar Essassi
Lahcen El Ammari
5-Nitro-1,3-bis(prop-2-ynyl)-1H-1,3-benzimidazol-2(3H)-one
Acta Crystallographica Section E
author_facet Youssef Kandri Rodi
Khalid Misbahi
Abdelkrim El-Ghayoury
Leokadiya Zorina
El Mokhtar Essassi
Lahcen El Ammari
author_sort Youssef Kandri Rodi
title 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_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_sort 5-nitro-1,3-bis(prop-2-ynyl)-1h-1,3-benzimidazol-2(3h)-one
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2013-07-01
description The title compound, C13H9N3O3, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536813016814
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