Crystal structure and Hirshfeld surface analysis of 3-(3,5-dimethoxyphenyl)-5-[6-(1 <i>H</i> -pyrazol-1-yl)pyridin-2-yl]-1 <i>H</i> -1,2,4-triazole
The title bis-azole-pyridine compound, C<sub>18</sub>H<sub>16</sub>N<sub>6</sub>O<sub>2</sub>, crystallizes in the triclinic space group <i>P</i>1 (No. 2) with two independent mol-ecules in the asymmetric unit. The mol-ecular structure was analyzed using crystallographic techniques, confirming the expected configuration and bonding scheme. Hirshfeld surface analysis revealed key non-covalent inter-actions such as C-H⋯N/C/O and π-π stacking, which consolidate the crystal structure. The study provides valuable insights into the structural features and inter-mol-ecular inter-actions of this polydentate compound, which may have potential applications as a transition-metal ligand.
Authors
- Yurii S. Moroz (ORCID: https://orcid.org/0000-0001-6073-002X)
- Nataliia S. Kariaka (ORCID: https://orcid.org/0000-0001-8355-4938)
- Sergiu G. Shova (ORCID: https://orcid.org/0000-0002-1222-4373)
- Maksym Seredyuk
- Oksana Tananaiko (ORCID: https://orcid.org/0000-0001-5109-3823)
- Dmitriy M. Panov
- Kateryna Znovjyak (ORCID: https://orcid.org/0000-0003-4818-8658)
Institutions
- Taras Shevchenko National University of Kyiv (UA)
- Institute of Macromolecular Chemistry (UA)
- Romanian Academy (RO)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-12-08
- DOI
- https://doi.org/10.1107/s2056989025010977
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Ministry of Education and Science of Ukraine