A novel manganese(II) bisthiocarbohydrazone complex: Crystal structures, Hirshfeld surface analysis, DFT and molecular docking study with SARS-CoV-2.

ABSTRACT: A novel Mn(II) complex [Mn(H₂L)Cl₂]•H₂O (1) of a ditopic ligand 1,5-bis(2-benzoylpyridine) thiocarbohydrazone (H₂L) was synthesized and characterised physico-chemically. A part of the mother solution of the complex 1 and THF yielded single crystals in a triclinic space group and are found same from the crystals obtained from another mixture of the mother solution and ethyl acetate. Single crystal XRD studies have confirmed the mononuclear complex formation and absence of any interactions between the Mn(II) centers. A solution of the complex 1 in chloroform, conversely, yielded a crystallographically different complex [Mn(H₂L)Cl₂]•CHCl₃ (1a) in monoclinic and is also characterised with s

SUBMITTER: Hashim KKM 

PROVIDER: S-EPMC9749901 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature