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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...

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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
Descripción
Sumario: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.