| Literature DB >> 34026256 |
Farid N Naghiyev1, Tatiana A Tereshina2, Victor N Khrustalev2,3, Mehmet Akkurt4, Rovnag M Rzayev5, Anzurat A Akobirshoeva6, İbrahim G Mamedov1.
Abstract
In the mol-ecular structure of the title compound, C16H13Cl2N5, the 1,4-di-hydro-pyridine ring of the 1,3,4,8-tetra-hydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter-molecular N-H⋯N and C-H⋯N hydrogen bonds form mol-ecular sheets parallel to the (110) and (10) planes, crossing each other. Adjacent mol-ecules are further linked by C-H⋯π inter-actions, which form zigzag chains propagating parallel to [100]. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from N⋯H/H⋯N (28.4%), H⋯H (24.5%), C⋯H/H⋯C (21.4%) and Cl⋯H/H⋯Cl (16.1%) contacts. © Naghiyev et al. 2021.Entities:
Keywords: 1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine; Hirshfeld surface analysis; crystal structure; cycloaddition product
Year: 2021 PMID: 34026256 PMCID: PMC8100256 DOI: 10.1107/S2056989021003583
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun