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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...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10561200 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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