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Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate

In the title compound, C(20)H(12)N(6)O·C(2)H(6)OS, the [1,2,4]triazolo[1,5-a]pyridine ring system is almost planar and makes dihedral angles of 16.33 (7) and 46.80 (7)°, respectively, with the phenyl­amino and phenyl rings. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯O hyd...

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Autores principales: Naghiyev, Farid N., Khrustalev, Victor N., Mamedov, Huseyn M., Akkurt, Mehmet, Khalilov, Ali N., Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10242740/
https://www.ncbi.nlm.nih.gov/pubmed/37288458
http://dx.doi.org/10.1107/S2056989023004383
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author Naghiyev, Farid N.
Khrustalev, Victor N.
Mamedov, Huseyn M.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
author_facet Naghiyev, Farid N.
Khrustalev, Victor N.
Mamedov, Huseyn M.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
author_sort Naghiyev, Farid N.
collection PubMed
description In the title compound, C(20)H(12)N(6)O·C(2)H(6)OS, the [1,2,4]triazolo[1,5-a]pyridine ring system is almost planar and makes dihedral angles of 16.33 (7) and 46.80 (7)°, respectively, with the phenyl­amino and phenyl rings. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds into chains along the b-axis direction through the dimethyl sulfoxide solvent mol­ecule, forming C(10)R (2) (1)(6) motifs. These chains are connected via S—O⋯π inter­actions, π–π stacking inter­actions between the pyridine rings [centroid-to-centroid distance = 3.6662 (9) Å] and van der Waals inter­actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (28.1%), C⋯H/H⋯C (27.2%), N⋯H/H⋯N (19.4%) and O⋯H/H⋯O (9.8%) inter­actions.
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spelling pubmed-102427402023-06-07 Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate Naghiyev, Farid N. Khrustalev, Victor N. Mamedov, Huseyn M. Akkurt, Mehmet Khalilov, Ali N. Bhattarai, Ajaya Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(20)H(12)N(6)O·C(2)H(6)OS, the [1,2,4]triazolo[1,5-a]pyridine ring system is almost planar and makes dihedral angles of 16.33 (7) and 46.80 (7)°, respectively, with the phenyl­amino and phenyl rings. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds into chains along the b-axis direction through the dimethyl sulfoxide solvent mol­ecule, forming C(10)R (2) (1)(6) motifs. These chains are connected via S—O⋯π inter­actions, π–π stacking inter­actions between the pyridine rings [centroid-to-centroid distance = 3.6662 (9) Å] and van der Waals inter­actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (28.1%), C⋯H/H⋯C (27.2%), N⋯H/H⋯N (19.4%) and O⋯H/H⋯O (9.8%) inter­actions. International Union of Crystallography 2023-05-26 /pmc/articles/PMC10242740/ /pubmed/37288458 http://dx.doi.org/10.1107/S2056989023004383 Text en © Naghiyev 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
Naghiyev, Farid N.
Khrustalev, Victor N.
Mamedov, Huseyn M.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate
title Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate
title_full Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate
title_fullStr Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate
title_short Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate
title_sort crystal structure and hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl­amino)-1h-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo­nitrile dimethyl sulfoxide monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10242740/
https://www.ncbi.nlm.nih.gov/pubmed/37288458
http://dx.doi.org/10.1107/S2056989023004383
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