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., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.80, sa.Pt 6, ss.572-576, 2024 (ESCI) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 80 Sayı: Pt 6
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1107/s2056989024003967
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.572-576
  • Anahtar Kelimeler: crystal structure, disorder, Hirshfeld surface analysis, hydrogen bonds, thiophene ring
  • Erciyes Üniversitesi Adresli: Evet

Özet

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°.