Crystal structure and Hirshfeld surface analysis of (Z)-4-{[4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl]amino}-4-oxobut-2-enoic acid

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Şimşek O., Dincer M., DEGE N., Saif E., YILMAZ İ., ÇUKUROVALI A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.78, ss.120-129, 2022 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 78
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1107/s2056989022000032
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.120-129
  • Anahtar Kelimeler: crystal structure, cyclobutyl, thiazole, 4-oxobut-2-enoic acid, Hirshfeld surface analysis
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

The title cyclobutyl compound, C18H18N2O3S, was synthesized by the interaction of 4-(3-methyl-3-phenylcyclobutyl)thiazol-2-amine and maleic anhydride, and crystallizes in the orthorhombic space group P2(1)2(1)2(1) with Z' = 1. The molecular geometry is partially stabilized by an intramolecular N-H center dot center dot center dot O hydrogen bond forming an S-1(1)(7) ring motif. The molecule is non-planar with a dihedral angle of 88.29 (11)degrees between the thiazole and benzene rings. In the crystal, the molecules are linked by O-H center dot center dot center dot N hydrogen bonds, forming supramolecular ribbons with C-1(1)(9) chain motifs. To further analyze the intermolecular interactions, a Hirshfeld surface analysis was performed. The results indicate that the most important contributions to the overall surface are from H center dot center dot center dot H (43%), C center dot center dot center dot H (18%), O center dot center dot center dot H (17%) and N center dot center dot center dot H (6%), interactions.