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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 :
Naghiyev, Farid N.
Tereshina, Tatiana A.
Khrustalev, Victor N.
Akkurt, Mehmet
Khalilov, Ali N.
Akobirshoeva, Anzurat A.
Mamedov, İbrahim G.
Source :
Acta Crystallographica Section E: Crystallographic Communications; May2021, Vol. 77 Issue 5, Following p512-515, 4p
Publication Year :
2021

Abstract

In the title compound, C<subscript>16</subscript>H<subscript>15</subscript>N<subscript>5</subscript>, 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 R<subscript>2</subscript>²(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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
77
Issue :
5
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
150195768
Full Text :
https://doi.org/10.1107/S2056989021003625