Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2<i>H</i>-pyrido-[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile

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Naghiyev F. N., Tereshina T. A., Khrustalev V. N., AKKURT M., Khalilov A. N., Akobirshoeva A. A., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.512-515, 2021 (ESCI)

• Publication Type: Article / Article
• Volume: 77
• Publication Date: 2021
• Doi Number: 10.1107/s2056989021003625
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.512-515
• Azerbaijan State University of Economics (UNEC) Affiliated: No

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 center dot center dot center dot N hydrogen bonds generate centrosymmetric dimers featuring R-2(2)(12) motifs and C-H center dot center dot center dot N contacts connect these dimers to form double layers lying parallel to (001). Weak C-H center dot center dot center dot pi and N-H center dot center dot center dot pi interactions help to consolidate the double layers and van derWaals interactions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H center dot center dot center dot H (38.5%), N center dot center dot center dot H/H center dot center dot center dot N (33.3%) and C center dot center dot center dot H/H center dot center dot center dot C (27.3%) contacts.