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Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile
In the title compound, C(16)H(15)N(5), the 1,4-dihydropyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N—H⋯N hydrogen bonds generate centrosymmetric dimers featuring R (2) (2)(12) motifs and C—H⋯N contacts connect...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100277/ https://www.ncbi.nlm.nih.gov/pubmed/34026255 http://dx.doi.org/10.1107/S2056989021003625 |
Sumario: | In the title compound, C(16)H(15)N(5), the 1,4-dihydropyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N—H⋯N hydrogen bonds generate centrosymmetric dimers featuring R (2) (2)(12) motifs and C—H⋯N contacts connect these dimers to form double layers lying parallel to (001). Weak C—H⋯π and N—H⋯π interactions help to consolidate the double layers and van der Waals interactions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (38.5%), N⋯H/H⋯N (33.3%) and C⋯H/H⋯C (27.3%) contacts. |
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