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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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 |
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. |
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