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

The central tetrahydropyridine ring of the title compound, C 19 H 17 N 3 O 2 , adopts a screw-boat conformation. In the crystal, strong C—H...O and N—H...N hydrogen bonds form dimers with R 2 2 (14) and R 2 2 (12) ring motifs, respectively, between consecutive molecules along the c -axis direction....

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Bibliographic Details
Published inActa crystallographica. Section E, Crystallographic communications Vol. 78; no. 3; pp. 330 - 335
Main Authors Asadov, Khammed A., Khrustalev, Victor N., Dobrokhotova, Ekaterina V., Akkurt, Mehmet, Huseynova, Afet T., Akobirshoeva, Anzurat A., Huseynov, Elnur Z.
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.03.2022
Subjects
crystal structure
dimers
hirshfeld surface analysis
hydrogen bonds
tetrahydropyridine
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Summary:The central tetrahydropyridine ring of the title compound, C 19 H 17 N 3 O 2 , adopts a screw-boat conformation. In the crystal, strong C—H...O and N—H...N hydrogen bonds form dimers with R 2 2 (14) and R 2 2 (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...π interactions and π–π 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%).
ISSN:2056-9890
2056-9890
DOI:10.1107/S205698902200175X