6-氨基-8-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与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-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, Khalilov Ali N, 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):512-515. doi: 10.1107/S2056989021003625. eCollection 2021 May 1.

In the title compound, CHN, the 1,4-di-hydro-pyridine 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 (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 inter-actions help to consolidate the double layers and van der Waals inter-actions 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.