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Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide
In the title compound, C(16)H(12)F(5)N(3)O, the dihedral angle between the aromatic rings is 31.84 (8)°. In the crystal, the molecules are linked into dimers possessing crystallographic twofold symmetry by pairwise N—H⋯O hydrogen bonds and weak C—H⋯O hydrogen bonds and aromatic π–π stacking intera...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340965/ https://www.ncbi.nlm.nih.gov/pubmed/34422310 http://dx.doi.org/10.1107/S2056989021007349 |
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author | Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Niyazova, Aytan A. Mlowe, Sixberth |
author_facet | Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Niyazova, Aytan A. Mlowe, Sixberth |
author_sort | Atioğlu, Zeliha |
collection | PubMed |
description | In the title compound, C(16)H(12)F(5)N(3)O, the dihedral angle between the aromatic rings is 31.84 (8)°. In the crystal, the molecules are linked into dimers possessing crystallographic twofold symmetry by pairwise N—H⋯O hydrogen bonds and weak C—H⋯O hydrogen bonds and aromatic π–π stacking interactions link the dimers into a three-dimensional network. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from F⋯H/H⋯F (41.1%), H⋯H (21.8%), C⋯H/H⋯C (9.7%) C⋯C (7.1%) and O⋯H/H⋯O (7.1%) contacts. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. The solvent contribution was not included in the reported molecular weight and density. |
format | Online Article Text |
id | pubmed-8340965 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-83409652021-08-19 Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Niyazova, Aytan A. Mlowe, Sixberth Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(12)F(5)N(3)O, the dihedral angle between the aromatic rings is 31.84 (8)°. In the crystal, the molecules are linked into dimers possessing crystallographic twofold symmetry by pairwise N—H⋯O hydrogen bonds and weak C—H⋯O hydrogen bonds and aromatic π–π stacking interactions link the dimers into a three-dimensional network. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from F⋯H/H⋯F (41.1%), H⋯H (21.8%), C⋯H/H⋯C (9.7%) C⋯C (7.1%) and O⋯H/H⋯O (7.1%) contacts. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. The solvent contribution was not included in the reported molecular weight and density. International Union of Crystallography 2021-07-23 /pmc/articles/PMC8340965/ /pubmed/34422310 http://dx.doi.org/10.1107/S2056989021007349 Text en © Atioğlu et al. 2021 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 Atioğlu, Zeliha Akkurt, Mehmet Shikhaliyev, Namiq Q. Askerova, Ulviyya F. Niyazova, Aytan A. Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
title | Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
title_full | Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
title_short | Crystal structure and Hirshfeld surface analysis of (2Z)-N,N-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
title_sort | crystal structure and hirshfeld surface analysis of (2z)-n,n-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340965/ https://www.ncbi.nlm.nih.gov/pubmed/34422310 http://dx.doi.org/10.1107/S2056989021007349 |
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