Crystal structure and Hirshfeld surface analysis of 2-oxo-4-phenyl-2,5,6,7,8,9-hexahydro-1 <i>H</i> -cyclohepta[ <i>b</i> ]pyridine-3-carbonitrile
The two mol-ecules in the asymmetric unit of the title compound, C<sub>17</sub>H<sub>16</sub>N<sub>2</sub>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%).
Authors
- H. Manikandan
- M. Rajkumar (ORCID: https://orcid.org/0000-0001-6394-5464)
- V. M. Anitha Rajathi
- U. Rajapandiyan
- Sivashanmugam Selvanayagam
Institutions
- Annamalai University (IN)
- Government Medical College (IN)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-12-03
- DOI
- https://doi.org/10.1107/s2056989025010771
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00