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Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate
In the title compound, C(22)H(17)N(5)·CH(4)O, the imidazolidine ring of the 1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine ring system is a twisted envelope, while the 1,2,3,4-tetrahydropyridine ring adopts a twisted boat conformation. In the crystal, pairs of molecules are linked by O—H⋯N and N—H...
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/PMC8183442/ https://www.ncbi.nlm.nih.gov/pubmed/34164135 http://dx.doi.org/10.1107/S2056989021004655 |
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author | Naghiyev, Farid N. Mammadova, Gunay Z. Khalilov, Ali N. Atioğlu, Zeliha Akkurt, Mehmet Akobirshoeva, Anzurat A. Mamedov, İbrahim G. |
author_facet | Naghiyev, Farid N. Mammadova, Gunay Z. Khalilov, Ali N. Atioğlu, Zeliha Akkurt, Mehmet Akobirshoeva, Anzurat A. Mamedov, İbrahim G. |
author_sort | Naghiyev, Farid N. |
collection | PubMed |
description | In the title compound, C(22)H(17)N(5)·CH(4)O, the imidazolidine ring of the 1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine ring system is a twisted envelope, while the 1,2,3,4-tetrahydropyridine ring adopts a twisted boat conformation. In the crystal, pairs of molecules are linked by O—H⋯N and N—H⋯O hydrogen bonds via two methanol molecules, forming a centrosymmetric R (4) (4)(16) ring motif. These motifs are connected to each other by C—H⋯N hydrogen bonds and form columns along the a axis. The columns form a stable molecular packing, being connected to each other by van der Waals interactions. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (43.8%), N⋯H/H⋯N (31.7%) and C⋯H/H⋯C (18.4%) contacts. |
format | Online Article Text |
id | pubmed-8183442 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-81834422021-06-22 Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate Naghiyev, Farid N. Mammadova, Gunay Z. Khalilov, Ali N. Atioğlu, Zeliha Akkurt, Mehmet Akobirshoeva, Anzurat A. Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(22)H(17)N(5)·CH(4)O, the imidazolidine ring of the 1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine ring system is a twisted envelope, while the 1,2,3,4-tetrahydropyridine ring adopts a twisted boat conformation. In the crystal, pairs of molecules are linked by O—H⋯N and N—H⋯O hydrogen bonds via two methanol molecules, forming a centrosymmetric R (4) (4)(16) ring motif. These motifs are connected to each other by C—H⋯N hydrogen bonds and form columns along the a axis. The columns form a stable molecular packing, being connected to each other by van der Waals interactions. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (43.8%), N⋯H/H⋯N (31.7%) and C⋯H/H⋯C (18.4%) contacts. International Union of Crystallography 2021-05-11 /pmc/articles/PMC8183442/ /pubmed/34164135 http://dx.doi.org/10.1107/S2056989021004655 Text en © Naghiyev 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 Naghiyev, Farid N. Mammadova, Gunay Z. Khalilov, Ali N. Atioğlu, Zeliha Akkurt, Mehmet Akobirshoeva, Anzurat A. Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate |
title | Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate |
title_full | Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate |
title_short | Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate |
title_sort | crystal structure and hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6,6,8-tricarbonitrile methanol monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183442/ https://www.ncbi.nlm.nih.gov/pubmed/34164135 http://dx.doi.org/10.1107/S2056989021004655 |
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