Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclohexyl-1<i>H</i>-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1<i>H</i>)-one
The crystal structure of 6-[4-(1-cyclo-hexyl-1<i>H</i>-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1<i>H</i>)-one, C<sub>20</sub>H<sub>26</sub>N<sub>6</sub>O<sub>4</sub> (<b>I</b>), was characterized by single-crystal X-ray diffraction. The primary focus was to establish the position of the nitro group, the mol-ecular conformation, and the role of inter-molecular inter-actions towards the crystal packing of <b>I</b>. The crystalline structure is mainly consolidated by π-π, C-H⋯O, C-H⋯N, N⋯C(π) and O⋯C(π) inter-actions. The contributions of different inter-actions towards the crystal packing were further analyzed using Hirshfeld surface and fingerprint plots.
Authors
- Balachandar Selvakumar (ORCID: https://orcid.org/0000-0002-9568-2731)
- Deepak Chopra (ORCID: https://orcid.org/0000-0002-0018-6007)
- Arnab Dutta (ORCID: https://orcid.org/0000-0002-4748-049X)
- Yogesh Dhasmana (ORCID: https://orcid.org/0000-0002-6811-8908)
- T. P. Mohan
Institutions
- Indian Institute of Science Education and Research, Bhopal (IN)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-03-04
- DOI
- https://doi.org/10.1107/s2056989025001793
- Primary Topic
- Synthesis of Tetrazole Derivatives
- Type
- article
- Field-Weighted Citation Impact
- 0.00