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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

Authors :
Farid N. Naghiyev
Tatiana A. Tereshina
Victor N. Khrustalev
Mehmet Akkurt
Rovnag M. Rzayev
Anzurat A. Akobirshoeva
İbrahim G. Mamedov
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 5, Pp 516-521 (2021)
Publication Year :
2021
Publisher :
International Union of Crystallography, 2021.

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 (\overline{1}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.

Details

Language :
English
ISSN :
20569890
Volume :
77
Issue :
5
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.661125fa63764254b20602614a827e31
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989021003583