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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.
- 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]
- Subjects :
- SURFACE analysis
CRYSTAL structure
SURFACE structure
HYDROGEN bonding
DIMERS
Subjects
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