Literature DB >> 34925883

N-tert-Butyl-2-{2-[2-(4-chloro-phen-yl)-4-hy-droxy-1-(5-methyl-isoxazol-3-yl)-5-oxo-2,5-di-hydro-1H-pyrrol-3-yl]-N-(4-meth-oxy-phen-yl)acetamido}-2-(4-meth-oxy-phen-yl)acetamide methanol monosolvate: single-crystal X-ray diffraction study and Hirshfeld surface analysis.

Mariia O Shyshkina1, Yana I Sakhno1, Oleksandr V Radchenko2, Svitlana V Shishkina1,2, Sergey M Desenko1, Valentyn A Chebanov1,2.   

Abstract

The title compound, C36H37ClN4O7·CH3OH, which crystallizes as a methanol solvate, may possess biological activity, which is inherent for a natural peptide or protein. In the crystal, mol-ecules of the title compound form hydrogen-bonded tetra-mers with the solvate mol-ecules acting as bridges as a result of the O-H⋯O and N-H⋯O inter-molecular hydrogen bonds. Hirshfeld surface analysis was used to study the different types of inter-molecular inter-actions whose contributions are: H⋯H = 53.8%, O⋯H/H⋯O = 19.0%, C⋯H/H⋯C = 14.8%, Cl⋯H/H⋯Cl = 5.3%, N⋯H/H⋯N = 3.2%. © Shyshkina et al. 2021.

Entities:  

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

Year:  2021        PMID: 34925883      PMCID: PMC8647747          DOI: 10.1107/S2056989021011312

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  11 in total

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Authors:  George M Sheldrick
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Journal:  J Appl Crystallogr       Date:  2020-02-01       Impact factor: 3.304

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