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

Autor: Naghiyev FN; Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148 Baku, Azerbaijan., Tereshina TA; Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation., Khrustalev VN; Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation.; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation., Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey., Rzayev RM; 'Composite Materials' Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Az 1063, Baku, Azerbaijan., Akobirshoeva AA; Acad. Sci. Republ. Tadzhikistan, Kh. Yu. Yusufbekov Pamir Biol. Inst., 1 Kholdorova St, Khorog 736002, Gbao, Tajikistan., Mamedov İG; Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148 Baku, Azerbaijan.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2021 Apr 09; Vol. 77 (Pt 5), pp. 516-521. Date of Electronic Publication: 2021 Apr 09 (Print Publication: 2021).
DOI: 10.1107/S2056989021003583
Abstrakt: In the mol-ecular structure of the title compound, C 16 H 13 Cl 2 N 5 , the 1,4-di-hydro-pyridine ring of the 1,3,4,8-tetra-hydro-2 H -pyrido[1,2- a ]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.
(© Naghiyev et al. 2021.)
Databáze: MEDLINE
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