An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
A family of biologically active novel zinc(II) compounds, namely [Zn(ahpa)(Cl)(H2O)] (1), [Zn(ahpa)(NO3)(H2O)] (2) and [Zn(ahpa)(H2O)2](ClO4) (3) of anthracene-appended multifunctional organic scaffold, Hahpa (Hahpa = 3-((anthracene-10-ylmethyl)(2-hydroxyethyl)amino)propanoic acid) were synthesized and characterized....
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
A new series of high-spin [CoII2] complexes [Co2(cpdp)(μ-O2CC6H5)] (1), [Co2(cpdp)(μ-o-O2CC6H4(OH))]·H2O (2), and [Co2(cpdp)(μ-p-O2CC6H4(OH))]·5H2O (3) of the carboxylate-affixed multidentate ligand, N,N′-bis[2-carboxybenzomethyl]-N,N′-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (H3cpdp), have been synthesized and structurally characterized [C6H5CO2– = benzoate; o-C6H4(OH)CO2– = ortho-hydroxybenzoate; p-C6H4(OH)CO2– = para-hydroxybenzoate]. In methanol, complexes 1, 2, and 3 have been synthesized by carrying out the reaction of H3cpdp with stoichiometric quantities of Co(BF4)2·6H2O/C6H5CO2Na, Co(BF4)2·6H2O/o-C6H4(OH)CO2Na, and Co(BF4)2·6H2O/p-C6H4(OH)CO2Na respectively, in the presence of NaOH at room temperature. Complexes 1–3 have been characterized by microanalysis, molar conductance, FTIR and UV–vis, mass spectrometry, PXRD, thermogravimetric analysis, single-crystal X-ray diffraction studies, and variable temperature magnetic susceptibility measurements. In 1–3, the nonbonded Co···Co separations are 3.4311(8), 3.4551(8), and 3.4393(7) Å, respectively, and the Co(II) ions are doubly bridged by one alkoxide group of the multidentate ligand and one benzoate/ortho-hydroxybenzoate/para-hydroxybenzoate group. As disclosed by single-crystal X-ray analyses, all three complexes assume distorted trigonal bipyramidal geometry around each cobalt center under the N2O3 coordination environment provided by the cpdp3– ligand and the ancillary benzoate/ortho-hydroxybenzoate/para-hydroxybenzoate functionalities. The distorted trigonal bipyramidal geometry is further authenticated by SHAPE analysis of the Co(II) coordination sphere. Magnetic susceptibility data were recorded for 1–3 in the temperature range of 2–300 K, and their analysis has disclosed the occurrence of antiferromagnetic interactions, associated with the spin-orbit coupling effect. The nature and mechanism of magnetic interactions are discussed on the basis of magneto-structural parameters, and these are mainly correlated with the magnitude of Co–Obridging alkoxide–Co angles. Moreover, with the aim of reducing toxicity and irritation of free cobalt(II) ion in the tissues, all three organo-chelated [CoII2] complexes were evaluated as antibacterial agents against Staphylococcus aureus, SA96, which is known to cause several life-threatening chronic infections and diseases. The antibacterial studies revealed that all three complexes are significantly active against this bacterial strain showing minimum inhibitory concentration values in the range of 300–600 μg/mL. However, a comparative assessment of their biological efficacies revealed that 2 and 3 exhibited higher antibacterial activity compared to that of 1.
A novel class of zinc(II)-based metal complexes, i.e., [Zn2(acdp)(μ-Cl)]·2H2O (1), [Zn2(acdp)(μ-NO3)]·2H2O (2), and [Zn2(acdp)(μ-O2CCF3)]·2H2O (3) (Cl- = chloride; NO3- = nitrate; CF3CO2- = trifluoroacetate) of anthracene-affixed multifunctional organic assembly, H3acdp (H3acdp = N,N'-bis[anthracene-2-ylmethyl]-N,N'-bis[carboxymethyl]-1,3-diaminopropan-2-ol), have emerged as promising antibacterial and antibiofilm agents in the domain of medicinal chemistry. Accordingly, complexes 1-3 were synthesized by utilizing H3acdp in combination with ZnCl2, Zn(NO3)2·6H2O, and Zn(CF3CO2)2·H2O respectively, in the presence of NaOH at ambient temperature. The complexation between H3acdp and Zn2+ was delineated by a combined approach of spectrophotometric and spectrofluorometric titration studies. The stoichiometry of acdp3-/Zn2+ in all three complexes is observed to be 1:2, as confirmed by spectrophotometric/spectrofluorometric titration data. Elemental analysis (C, H, N, Zn), molar conductance, FTIR, UV-vis, and thermoanalytical (TGA/DTA) data were effectively used to characterize these complexes. Besides, the structures of 1-3 were established by density functional theory (DFT) calculation using B3LYP/6-311G, specifying a self-assembled compact geometry with average Zn···Zn separation of 3.4629 Å. All three zinc complexes exhibited significantly high antibacterial and antibiofilm activity against methicillin-resistant Staphylococcus aureus (MRSA BAA1717). However, complex 1 showed a more recognizable activity than 2 and 3, with minimum inhibitory concentration (MIC) values of 200, 350, and 450 μg/mL, respectively. The antimicrobial activity was tested by employing the minimum inhibitory concentration (MIC) and time-kill assay. The crystal violet (CV) assay and microscopic study were performed to examine the antibiofilm activity. As observed, complexes 1-3 had an effect on the production of extracellular polymeric substance (EPS), biofilm cell-viability, and other virulence factors such as staphyloxanthin and hemolysin production, autoaggregation ability, and microbial cell-surface hydrophobicity. Reactive oxygen species (ROS) generated due to inhibition of staphyloxanthin production in response to 1-3 were also analyzed. Moreover, complexes 1-3 showed an ability to damage the bacterial cell membrane due to accumulation of ROS resulting in DNA leakage. In addition, complexes 1-3 displayed a synergistic/additive activity with a commercially available antibiotic drug, vancomycin, with enhanced antibacterial activity. On the whole, our investigation disclosed that complex 1 could be a promising drug lead and attract much attention to medicinal chemists compared to 2 and 3 from therapeutic aspects.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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