Crystal structure and Hirshfeld surface analysis of 2-oxo-4-phenyl-2,5,6,7,8,9-hexa-hydro-1<i>H</i>-cyclohepta-[<i>b</i>]pyridine-3-carbo-nitrile.

ABSTRACT: The two mol-ecules in the asymmetric unit of the title compound, C₁₇H₁₆N₂O, have a structural overlap with a root-mean-square deviation of 1.11 Å. Both seven-membered cyclo-heptene rings adopt a chair conformation. Reciprocal inter-molecular N-H⋯O hydrogen bonds between neighbouring mol-ecules lead to the consolidation of their mol-ecular conformations. Weak C-H⋯π inter-actions between neighbouring mol-ecules are also present in the crystal. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter-actions contribute the most to the crystal packing (45.4%).

SUBMITTER: Rajapandiyan U 

PROVIDER: S-EPMC12810318 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature