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Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole
The title compound, C(11)H(12)N(6)O(2), a π-conjugated triazene, crystallized with two independent molecules (A and B) in the asymmetric unit. Both molecules have an E conformation about the –N=N– bond and have slightly twisted overall conformations. In molecule A, the imidazole ring is inclined...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257158/ https://www.ncbi.nlm.nih.gov/pubmed/25484658 http://dx.doi.org/10.1107/S1600536814020698 |
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author | Patil, Siddappa Bugarin, Alejandro |
author_facet | Patil, Siddappa Bugarin, Alejandro |
author_sort | Patil, Siddappa |
collection | PubMed |
description | The title compound, C(11)H(12)N(6)O(2), a π-conjugated triazene, crystallized with two independent molecules (A and B) in the asymmetric unit. Both molecules have an E conformation about the –N=N– bond and have slightly twisted overall conformations. In molecule A, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in molecule B the two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent molecules are linked to each other by C—H⋯O hydrogen bonds, forming –A–A–A– and –B–B–B– chains along [100]. The chains are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C—H⋯N hydrogen bonds and π–π interactions [centroid–centroid distance = 3.5243 (5) Å; involving the imidazole ring of molecule A and the benzene ring of molecule B], forming a three-dimensional framework structure. |
format | Online Article Text |
id | pubmed-4257158 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42571582014-12-05 Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole Patil, Siddappa Bugarin, Alejandro Acta Crystallogr Sect E Struct Rep Online Research Communications The title compound, C(11)H(12)N(6)O(2), a π-conjugated triazene, crystallized with two independent molecules (A and B) in the asymmetric unit. Both molecules have an E conformation about the –N=N– bond and have slightly twisted overall conformations. In molecule A, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in molecule B the two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent molecules are linked to each other by C—H⋯O hydrogen bonds, forming –A–A–A– and –B–B–B– chains along [100]. The chains are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C—H⋯N hydrogen bonds and π–π interactions [centroid–centroid distance = 3.5243 (5) Å; involving the imidazole ring of molecule A and the benzene ring of molecule B], forming a three-dimensional framework structure. International Union of Crystallography 2014-09-20 /pmc/articles/PMC4257158/ /pubmed/25484658 http://dx.doi.org/10.1107/S1600536814020698 Text en © Patil and Bugarin 2014 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 Patil, Siddappa Bugarin, Alejandro Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole |
title | Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole |
title_full | Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole |
title_fullStr | Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole |
title_full_unstemmed | Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole |
title_short | Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole |
title_sort | crystal structure of (e)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1h-imidazole |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257158/ https://www.ncbi.nlm.nih.gov/pubmed/25484658 http://dx.doi.org/10.1107/S1600536814020698 |
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