3.8 Article

N-tert-Butyl-2-{2-[2-(4-chlorophenyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]-N-(4-methoxyphenyl)acetamido}-2-(4-methoxyphenyl)acetamide methanol monosolvate: single-crystal X-ray diffraction study and Hirshreld surface analysis

Publisher

INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989021011312

Keywords

Ugi reaction; multicomponent reaction; molecular structure; crystal structure; Hirshfeld surface analysis

Funding

  1. National Academy of Sciences of Ukraine [0120U102660]

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The title compound, crystallized as a methanol solvate, may have biological activity inherent to natural peptides or proteins. In the crystal, molecules form hydrogen-bonded tetramers with solvate molecules acting as bridges. Hirshfeld surface analysis revealed different types of intermolecular interactions and their contributions.
The title compound, C36H37ClN4O7 center dot CH3OH, which crystallizes as a methanol solvate, may possess biological activity, which is inherent for a natural peptide or protein. In the crystal, molecules of the title compound form hydrogen-bonded tetramers with the solvate molecules acting as bridges as a result of the O-H center dot center dot center dot O and N-H center dot center dot center dot O intermolecular hydrogen bonds. Hirshfeld surface analysis was used to study the different types of intermolecular interactions whose contributions are: H center dot center dot center dot H = 53.8%, O center dot center dot center dot H/H center dot center dot center dot O = 19.0%, C center dot center dot center dot H/H center dot center dot center dot C = 14.8%, Cl center dot center dot center dot H/H center dot center dot center dot Cl = 5.3%, N center dot center dot center dot H/H center dot center dot center dot N = 3.2%.

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