6-氨基-8-(2,6-二氯苯基)-1,3,4,8-四氢-2-吡啶并[1,2 -]嘧啶-7,9-二腈的晶体结构及 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-di-chloro-phen-yl)-1,3,4,8-tetra-hydro-2-pyrido[1,2-]pyrimidine-7,9-dicarbo-nitrile.

作者信息

Naghiyev Farid N, Tereshina Tatiana A, Khrustalev Victor N, Akkurt Mehmet, Rzayev Rovnag M, Akobirshoeva Anzurat A, Mamedov İbrahim G

机构信息

Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148 Baku, Azerbaijan.

Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Apr 9;77(Pt 5):516-521. doi: 10.1107/S2056989021003583. eCollection 2021 May 1.

In the mol-ecular structure of the title compound, CHClN, the 1,4-di-hydro-pyridine ring of the 1,3,4,8-tetra-hydro-2-pyrido[1,2-]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.