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Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole

In the title compound, C(16)H(13)N(7)O(2), the 3,5-di­methyl­phenyl and 4-nitro­phenyl rings are inclined to the central 2H-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)°, respectively, and to one another by 2.16 (7)°. In the crystal, the mol­ecules are linked by C—H⋯N hydrogen bonds and π–π stacking...

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Autores principales: Maharramov, Abel, Shikhaliyev, Namiq Q., Abdullayeva, Afaq, Atakishiyeva, Gulnar T., Niyazova, Ayten, Khrustalev, Victor N., Gahramanova, Shahnaz I., Atioğlu, Zeliha, Akkurt, Mehmet, Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561200/
https://www.ncbi.nlm.nih.gov/pubmed/37817945
http://dx.doi.org/10.1107/S2056989023007855
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author Maharramov, Abel
Shikhaliyev, Namiq Q.
Abdullayeva, Afaq
Atakishiyeva, Gulnar T.
Niyazova, Ayten
Khrustalev, Victor N.
Gahramanova, Shahnaz I.
Atioğlu, Zeliha
Akkurt, Mehmet
Bhattarai, Ajaya
author_facet Maharramov, Abel
Shikhaliyev, Namiq Q.
Abdullayeva, Afaq
Atakishiyeva, Gulnar T.
Niyazova, Ayten
Khrustalev, Victor N.
Gahramanova, Shahnaz I.
Atioğlu, Zeliha
Akkurt, Mehmet
Bhattarai, Ajaya
author_sort Maharramov, Abel
collection PubMed
description In the title compound, C(16)H(13)N(7)O(2), the 3,5-di­methyl­phenyl and 4-nitro­phenyl rings are inclined to the central 2H-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)°, respectively, and to one another by 2.16 (7)°. In the crystal, the mol­ecules are linked by C—H⋯N hydrogen bonds and π–π stacking inter­actions [centroid-to-centroid distances = 3.7295 (9) and 3.7971 (9) Å], forming ribbons along the b-axis direction. These ribbons are connected to each other by weak van der Waals inter­actions and the stability of the crystal structure is ensured. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (31.5%), N⋯H/H⋯N (19.2%), O⋯H/H⋯O (14.5%), N⋯C/C⋯C (10.9%) and C⋯H/H⋯C (10.2%) contacts.
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spelling pubmed-105612002023-10-10 Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole Maharramov, Abel Shikhaliyev, Namiq Q. Abdullayeva, Afaq Atakishiyeva, Gulnar T. Niyazova, Ayten Khrustalev, Victor N. Gahramanova, Shahnaz I. Atioğlu, Zeliha Akkurt, Mehmet Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(13)N(7)O(2), the 3,5-di­methyl­phenyl and 4-nitro­phenyl rings are inclined to the central 2H-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)°, respectively, and to one another by 2.16 (7)°. In the crystal, the mol­ecules are linked by C—H⋯N hydrogen bonds and π–π stacking inter­actions [centroid-to-centroid distances = 3.7295 (9) and 3.7971 (9) Å], forming ribbons along the b-axis direction. These ribbons are connected to each other by weak van der Waals inter­actions and the stability of the crystal structure is ensured. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (31.5%), N⋯H/H⋯N (19.2%), O⋯H/H⋯O (14.5%), N⋯C/C⋯C (10.9%) and C⋯H/H⋯C (10.2%) contacts. International Union of Crystallography 2023-09-14 /pmc/articles/PMC10561200/ /pubmed/37817945 http://dx.doi.org/10.1107/S2056989023007855 Text en © Maharramov et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Maharramov, Abel
Shikhaliyev, Namiq Q.
Abdullayeva, Afaq
Atakishiyeva, Gulnar T.
Niyazova, Ayten
Khrustalev, Victor N.
Gahramanova, Shahnaz I.
Atioğlu, Zeliha
Akkurt, Mehmet
Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole
title Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole
title_full Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole
title_fullStr Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole
title_short Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole
title_sort crystal structure and hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2h-1,2,3-triazole
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561200/
https://www.ncbi.nlm.nih.gov/pubmed/37817945
http://dx.doi.org/10.1107/S2056989023007855
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