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Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-di­chloro­phen­yl)-1,3,4,8-tetra­hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo­nitrile

In the mol­ecular structure of the title compound, C(16)H(13)Cl(2)N(5), the 1,4-di­hydro­pyridine ring of the 1,3,4,8-tetra­hydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter­molecular N—H⋯N and C—H⋯N hydroge...

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Detalles Bibliográficos
Autores principales: Naghiyev, Farid N., Tereshina, Tatiana A., Khrustalev, Victor N., Akkurt, Mehmet, Rzayev, Rovnag M., Akobirshoeva, Anzurat A., Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100256/
https://www.ncbi.nlm.nih.gov/pubmed/34026256
http://dx.doi.org/10.1107/S2056989021003583
Descripción
Sumario:In the mol­ecular structure of the title compound, C(16)H(13)Cl(2)N(5), the 1,4-di­hydro­pyridine ring of the 1,3,4,8-tetra­hydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter­molecular N—H⋯N and C—H⋯N hydrogen bonds form mol­ecular sheets parallel to the (110) and ([Image: see text]10) planes, crossing each other. Adjacent mol­ecules are further linked by C—H⋯π inter­actions, 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.