Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Naghiyev, Farid N., Mammadova, Gunay Z., Khalilov, Ali N., Atioğlu, Zeliha, Akkurt, Mehmet, Akobirshoeva, Anzurat A., Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
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
_version_ 1783704375854628864
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
work_keys_str_mv AT naghiyevfaridn crystalstructureandhirshfeldsurfaceanalysisof57diphenyl123567hexahydroimidazo12apyridine668tricarbonitrilemethanolmonosolvate
AT mammadovagunayz crystalstructureandhirshfeldsurfaceanalysisof57diphenyl123567hexahydroimidazo12apyridine668tricarbonitrilemethanolmonosolvate
AT khalilovalin crystalstructureandhirshfeldsurfaceanalysisof57diphenyl123567hexahydroimidazo12apyridine668tricarbonitrilemethanolmonosolvate
AT atiogluzeliha crystalstructureandhirshfeldsurfaceanalysisof57diphenyl123567hexahydroimidazo12apyridine668tricarbonitrilemethanolmonosolvate
AT akkurtmehmet crystalstructureandhirshfeldsurfaceanalysisof57diphenyl123567hexahydroimidazo12apyridine668tricarbonitrilemethanolmonosolvate
AT akobirshoevaanzurata crystalstructureandhirshfeldsurfaceanalysisof57diphenyl123567hexahydroimidazo12apyridine668tricarbonitrilemethanolmonosolvate
AT mamedovibrahimg crystalstructureandhirshfeldsurfaceanalysisof57diphenyl123567hexahydroimidazo12apyridine668tricarbonitrilemethanolmonosolvate