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

2-氧代-4-苯基-2,5,6,7,8,9-六氢-1H-环庚并[b]吡啶-3-腈的晶体结构和Hirshfeld表面分析

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Abstract

The two mol-ecules in the asymmetric unit of the title compound, C(17)H(16)N(2)O, 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%).

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