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

The title cyclo­butyl compound, C(18)H(18)N(2)O(3)S, 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 int...

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Detalles Bibliográficos
Autores principales: Simsek, Okan, Dincer, Muharrem, Dege, Necmi, Saif, Eiad, Yilmaz, Ibrahim, Cukurovali, Alaaddin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819446/
https://www.ncbi.nlm.nih.gov/pubmed/35145736
http://dx.doi.org/10.1107/S2056989022000032
Descripción
Sumario:The title cyclo­butyl compound, C(18)H(18)N(2)O(3)S, 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⋯O hydrogen bond forming an S (1) (1)(7) ring motif. The mol­ecule is non-planar with a dihedral angle of 88.29 (11)° between the thia­zole and benzene rings. In the crystal, the mol­ecules are linked by O—H⋯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⋯H (43%), C⋯H (18%), O⋯H (17%) and N⋯H (6%), inter­actions.