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

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°. © 2024 The Author(s).

Авторы
Podrezova A.G. , Nikitina E.V. , Grigoriev M.S. , Akkurt M. , Hasanov K.I. , Sadikhova N.D. , Bhattarai A.
Издательство
International Union of Crystallography
Номер выпуска
Pt 6
Язык
Английский
Страницы
572-576
Статус
Опубликовано
Том
80
Год
2024
Организации
  • 1 Rudn University, 6 Miklukho-Maklaya St., Moscow, 117198, Russian Federation
  • 2 A. N. Frumkin Institute Of Physical Chemistry And Electrochemistry, Russian Academy Of Sciences, Leninsky pr. 31 bld. 4, Moscow, Russian Federation
  • 3 Department Of Physics, Faculty Of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 4 Azerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade St. 14., Baku, AZ1022, Azerbaijan
  • 5 Western Caspian University, Istiqlaliyyat Street 31, Baku, AZ1001, Azerbaijan
  • 6 Department Of Chemistry, Baku State University, Z. Xalilov Str. 23, Baku, AZ1148, Azerbaijan
  • 7 Department Of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal
Ключевые слова
crystal structure; disorder; Hirshfeld surface analysis; hydrogen bonds; thiophene ring
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