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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...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2960216 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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