Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid

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Podrezova A. G., Nikitina E. V., Grigoriev M. S., AKKURT M., Hasanov K. I., Sadikhova N. D., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.80, no.Pt 6, pp.572-576, 2024 (ESCI)

• Publication Type: Article / Article
• Volume: 80 Issue: Pt 6
• Publication Date: 2024
• Doi Number: 10.1107/s2056989024003967
• Journal Name: Acta Crystallographica Section E: Crystallographic Communications
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.572-576
• Keywords: crystal structure, thiophene ring, hydrogen bonds, disorder, Hirshfeld surface analysis
• Erciyes University Affiliated: Yes

Abstract

In the title compound, C15H13NO3S, the molecular conformation is stable with the intramolecular O - H...O hydrogen bond forming a S(7) ring motif. In the crystal, molecules are connected by C - H..O hydrogen bonds, forming C(8) chains running along the a-axis direction. Cohesion of the packing is provided by weak van der Waals interactions between the chains. A Hirshfeld surface analysis was undertaken to investigate and quantify the intermolecular interactions. The thiophene ring is disordered in a 0.9466(17):0.0534(17) ratio over two positions rotated by 180°.