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3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide

The title compound, C(14)H(8)N(4)O(6), a new 1,2,5-oxadiazole N-oxide derivative, was formed by dimerization of 4-nitro­benz­al­de­hyde oxime. The compound crystallizes with two independent mol­ecules per asymmetric unit. The N-oxide O atom is disordered over two sites in each mol­ecule; site occupa...

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Autores principales: Alhouari, Ghali, Kerbal, Abdelali, Larbi, Najib Ben, Hadda, Taibi Ben, Daoudi, Maria, Stoeckli-Evans, Helen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960216/
https://www.ncbi.nlm.nih.gov/pubmed/21201530
http://dx.doi.org/10.1107/S1600536807066640
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author Alhouari, Ghali
Kerbal, Abdelali
Larbi, Najib Ben
Hadda, Taibi Ben
Daoudi, Maria
Stoeckli-Evans, Helen
author_facet Alhouari, Ghali
Kerbal, Abdelali
Larbi, Najib Ben
Hadda, Taibi Ben
Daoudi, Maria
Stoeckli-Evans, Helen
author_sort Alhouari, Ghali
collection PubMed
description The title compound, C(14)H(8)N(4)O(6), a new 1,2,5-oxadiazole N-oxide derivative, was formed by dimerization of 4-nitro­benz­al­de­hyde oxime. The compound crystallizes with two independent mol­ecules per asymmetric unit. The N-oxide O atom is disordered over two sites in each mol­ecule; site occupancy factors are 0.57/0.43 and 0.5/0.5. The mean planes through the two benzene rings are inclined to the planar 1,2,3-oxadiazole ring by 25.03 (11) and 41.64 (11)° in one mol­ecule, and 22.58 (11) and 42.66 (11)° in the other mol­ecule, the smaller angle being for the ring on the oxide side of the oxadiazole ring in each case. In the crystal structure, the individual mol­ecules form centrosymmetric dimers linked via C—H⋯O hydrogen bonds. The dimers of one mol­ecule are then linked to those of the other mol­ecule via C—H⋯O hydrogen bonds, forming a three-dimensional network.
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spelling pubmed-29602162010-12-30 3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide Alhouari, Ghali Kerbal, Abdelali Larbi, Najib Ben Hadda, Taibi Ben Daoudi, Maria Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(8)N(4)O(6), a new 1,2,5-oxadiazole N-oxide derivative, was formed by dimerization of 4-nitro­benz­al­de­hyde oxime. The compound crystallizes with two independent mol­ecules per asymmetric unit. The N-oxide O atom is disordered over two sites in each mol­ecule; site occupancy factors are 0.57/0.43 and 0.5/0.5. The mean planes through the two benzene rings are inclined to the planar 1,2,3-oxadiazole ring by 25.03 (11) and 41.64 (11)° in one mol­ecule, and 22.58 (11) and 42.66 (11)° in the other mol­ecule, the smaller angle being for the ring on the oxide side of the oxadiazole ring in each case. In the crystal structure, the individual mol­ecules form centrosymmetric dimers linked via C—H⋯O hydrogen bonds. The dimers of one mol­ecule are then linked to those of the other mol­ecule via C—H⋯O hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2008-01-23 /pmc/articles/PMC2960216/ /pubmed/21201530 http://dx.doi.org/10.1107/S1600536807066640 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Alhouari, Ghali
Kerbal, Abdelali
Larbi, Najib Ben
Hadda, Taibi Ben
Daoudi, Maria
Stoeckli-Evans, Helen
3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide
title 3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide
title_full 3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide
title_fullStr 3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide
title_full_unstemmed 3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide
title_short 3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide
title_sort 3,4-bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960216/
https://www.ncbi.nlm.nih.gov/pubmed/21201530
http://dx.doi.org/10.1107/S1600536807066640
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