Title of article :
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
Author/Authors :
Naghiyev, Farid N. Department of Chemistry - Baku State University, Azerbaijan , Tereshina, Tatiana A. Peoples' Friendship University of Russia (RUDN University), Russian Federation , Khrustalevb, Victor N. Peoples' Friendship University of Russia (RUDN University), Russian Federation , Akkurt, Mehmet Department of Physics - Faculty of Sciences, Turkey , Khalilov, Ali N. partment of Chemistry - Baku State University, Azerbaijan , Akobirshoeva, Anzurat A. Acad. Sci. Republ. Tadzhikistan - Kh Yu Yusufbekov Pamir Biol. Inst., Tajikistan , Mamedov,İbrahim G. Department of Chemistry - Baku State University, Azerbaijan
Abstract :
In the title compound, C16H15N5, 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 R22(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.
Keywords :
Hirshfeld surface analysis , crystal structure , cycloaddition product , pyrido[1,2-a]pyrimidine
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
