Zinc(II) Coordination Complexes with Picolinate and Amino Alcohols

A systematic investigation of Zinc(II) coordination chemistry with picolinate and seven β-amino alcohols. The dataset includes characterization data for novel compounds synthesized via a straightforward route, with structures confirmed by infrared and 1H NMR spectroscopy, elemental analysis, mass spectrometry, and single-crystal X-ray diffraction. Selected tris-chelates displayed moderate antibacterial activity against S. epidermidis, with MIC values from 32 to 64 μg/mL.

Use Cases

• Predicting complex stability based on ligand structure and DFT calculations.
• Correlating molecular structure from X-ray diffraction with antibacterial activity (MIC values).
• Screening novel zinc coordination compounds for potential antibacterial properties.
• Analyzing spectroscopic signatures (IR, 1H NMR) for specific coordination environments.

Strengths

• All novel compounds were characterized using multiple techniques including single-crystal X-ray diffraction.
• Antibacterial activity is quantified with specific MIC values ranging from 32 to 64 μg/mL against S. epidermidis.
• The study systematically investigates seven different β-amino alcohol ligands.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small at 6.3 KB, indicating limited scope.

Provenance

Source

Author Barbara Modec, published on figshare.

Collection Method

Synthetic chemistry experiments and computational DFT calculations.

Freshness

Last updated 2026-05-25 09:29:59; freshness should be verified.