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Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile.

ABSTRACT: The central tetra-hydro-pyridine ring of the title compound, C₁₉H₁₇N₃O₂, adopts a screw-boat conformation. In the crystal, strong C-H⋯O and N-H⋯N hydrogen bonds form dimers with R ² ₂(14) and R ² ₂(12) ring motifs, respectively, between consecutive mol-ecules along the c-axis direction. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds connect these dimers, forming a three-dimensional network. C-H⋯π inter-actions and π-π stacking inter-actions contribute to the stabilization of the mol-ecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are H⋯H (47.1%), C⋯H/H⋯C (20.9%), O⋯H/H⋯O (15.3%) and N⋯H/H⋯N (11.4%).

SUBMITTER: Asadov KA

PROVIDER: S-EPMC8900505 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile.

Asadov Khammed A KA Khrustalev Victor N VN Dobrokhotova Ekaterina V EV Akkurt Mehmet M Huseynova Afet T AT Akobirshoeva Anzurat A AA Huseynov Elnur Z EZ

Acta crystallographica. Section E, Crystallographic communications 20220222 Pt 3

The central tetra-hydro-pyridine ring of the title compound, C19H17N3O2, adopts a screw-boat conformation. In the crystal, strong C-H⋯O and N-H⋯N hydrogen bonds form dimers with R 2 2(14) and R 2 2(12) ring motifs, respectively, between consecutive mol-ecules along the c-axis direction. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds connect these dimers, forming a three-dimensional networ ...[more]

PMID: 35371539

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4-(4-Meth-oxy-phen-yl)-2-oxo-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbo-nitrile.

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