Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexa-hydro-imidazo[1,2-a]pyridine-6,6,8-tricarbo-nitrile methanol mono-solvate.
Acta Crystallogr E Crystallogr Commun
; 77(Pt 6): 600-604, 2021 Jun 01.
Article
em En
| MEDLINE
| ID: mdl-34164135
In the title compound, C22H17N5·CH4O, the imidazolidine ring of the 1,2,3,5,6,7-hexa-hydro-imidazo[1,2-a]pyridine ring system is a twisted envelope, while the 1,2,3,4-tetra-hydro-pyridine ring adopts a twisted boat conformation. In the crystal, pairs of mol-ecules are linked by O-Hâ¯N and N-Hâ¯O hydrogen bonds via two methanol mol-ecules, forming a centrosymmetric R 4 4(16) ring motif. These motifs are connected to each other by C-Hâ¯N hydrogen bonds and form columns along the a axis. The columns form a stable mol-ecular packing, being connected to each other by van der Waals inter-actions. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from Hâ¯H (43.8%), Nâ¯H/Hâ¯N (31.7%) and Câ¯H/Hâ¯C (18.4%) contacts.
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2021
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Article