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Crystal structure and Hirshfeld surface analysis of ( Z )-4-{[4-(3-methyl-3-phenyl-cyclo-but-yl)thia-zol-2-yl]amino}-4-oxobut-2-enoic acid.

Okan SimsekMuharrem DincerNecmi DegeEiad SaifIbrahim YilmazAlaaddin Cukurovali
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
The title cyclo-butyl compound, C 18 H 18 N 2 O 3 S, was synthesized by the inter-action of 4-(3-methyl-3-phenyl-cyclo-but-yl)thia-zol-2-amine and maleic anhydride, and crystallizes in the ortho-rhom-bic space group P 2 1 2 1 2 1 with Z ' = 1. The mol-ecular geometry is partially stabilized by an intra-molecular N-H⋯O hydrogen bond forming an S 1 1 (7) ring motif. The mol-ecule is non-planar with a dihedral angle of 88.29 (11)° between the thia-zole and benzene rings. In the crystal, the mol-ecules are linked by O-H⋯N hydrogen bonds, forming supra-molecular ribbons with C 1 1 (9) chain motifs. To further analyze the inter-molecular inter-actions, a Hirshfeld surface analysis was performed. The results indicate that the most important contributions to the overall surface are from H⋯H (43%), C⋯H (18%), O⋯H (17%) and N⋯H (6%), inter-actions.
Keyphrases
  • crystal structure
  • single molecule
  • high resolution