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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...

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Autores principales: Patil, Siddappa, Bugarin, Alejandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
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.
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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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