Crystal structure, Hirshfeld surface, DFT, molecular docking of 1-[(6-tert-butyl-2-oxo-2H-chromen-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione and cytotoxic effects on breast cancer (MDA-MB 231), human alveolar basal epithelial (A549) cell lines

Crystal structure, Hirshfeld surface, DFT, molecular docking of 1-[(6-tert-butyl-2-oxo-2H-chromen-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione and cytotoxic effects on breast cancer (MDA-MB 231), human alveolar basal epithelial (A549) cell lines

The title compound, C21H25NO4, was synthesized by SN2 reaction of bromomethyl coumarin with 4,4-dimethylpiperidine-2,6-dione. The molecule crystalizes in the monoclinic system with space group C2/c. The coumarin unit is almost planar with a dihedral angle between the aromatic rings of 0.81 (2)° and...

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Bibliographic Details
Main Authors: M. Sunitha Kumari, M. Harish Kumar, D. V. Deevith, H. C. Devarajegowda, B. S. Palakshamurthy
Format: Article
Language:English
Published: International Union of Crystallography 2025-03-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
2-oxo-2h-chromene
dft
biological activity
hirshfeld surface
Online Access:https://journals.iucr.org/paper?S2056989025001550
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