Title of article :
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
Author/Authors :
Naghiyev, Farid N. Department of Chemistry - Baku State University, Azerbaijan , Tereshina, Tatiana A. Peoples' Friendship University of Russia (RUDN University), Russian Federation , Khrustalev, Victor N. Peoples' Friendship University of Russia (RUDN University), Russian Federation , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Rzayev, Rovnag M. Composite Materials" Scientific Research Center - Azerbaijan State Economic University (UNEC),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 molecular structure of the title compound, C16H13Cl2N5, 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 ( 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. © 2021
Keywords :
cycloaddition product , Hirshfeld surface analysis , 1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
