Work

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

Year: 2025

Type: article

Abstract: 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%).

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025010771

Authors: Uthirapathi Rajapandiyan, Muruganandham Rajkumar, Haridoss Manikandan, Velusamy Rajathi, Sivashanmugam Selvanayagam

Institution: Annamalai University

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

OpenAlex ID: W4417089109