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Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-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
Ali N. Khalilov
Anzurat A. Akobirshoeva
İbrahim G. Mamedov
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 5, Pp 512-515 (2021)
Publication Year :
2021
Publisher :
International Union of Crystallography, 2021.

Abstract

In the title compound, C16H15N5, the 1,4-dihydropyridine 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 R22(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 interactions help to consolidate the double layers and van der Waals interactions 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.

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.31fe7b4980aa4d4ab63d89f8f266bcaa
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989021003625