Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile

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Asadov K. A., Khrustalev V. N., Dobrokhotova E. V., AKKURT M., Huseynova A. T., Akobirshoeva A. A., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.78, pp.330-335, 2022 (ESCI)

• Publication Type: Article / Article
• Volume: 78
• Publication Date: 2022
• Doi Number: 10.1107/s205698902200175x
• Journal Name: Acta Crystallographica Section E: Crystallographic Communications
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.330-335
• Keywords: crystal structure, tetrahydropyridine, hydrogen bonds, dimers, Hirshfeld surface analysis, INTERMOLECULAR INTERACTIONS
• Kayseri University Affiliated: No

Abstract

© 2022 International Union of Crystallography. All rights reserved.The central tetrahydropyridine ring of the title compound, C19H17N3O2, adopts a screw-boat conformation. In the crystal, strong C—H. . .O and N—H. . .N hydrogen bonds form dimers with R22(14) and R22(12) ring motifs, respectively, between consecutive molecules along the c-axis direction. Intermolecular N—H. . .O and C—H. . .O hydrogen bonds connect these dimers, forming a three-dimensional network. C—H. . . interactions and – stacking interactions contribute to the stabilization of the molecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H. . .H (47.1%), C. . .H/H. . .C (20.9%), O. . .H/H. . .O (15.3%) and N. . .H/ H. . .N (11.4%).