Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand

Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.

doi:10.1039/d3nj05532a

New J. Chem.

2024

DOI: 10.1039/d3nj05532a

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Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand

Michelle A. Sturner,

Isla D. Thomas,

Joshua E. Owusu-Koramoah

et al.

Abstract: Despite the concurrence of histidine and cysteine in the active sites of proteins associated with Zn2+, Cd2+ and Hg2+, coordination studies of these metal ions with chelating ligands containing a...

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Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)

Reynolds,

Berry,

Bebout

2024

Acta Crystallogr E Cryst Commun

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The title compound, [Cd(C14H16N3S)Cl] or [CdLCl] (1), where LH = 2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiol, was prepared and structurally characterized. The Cd2+ complex crystallizes in P21/c with a distorted trigonal–bipyramidal metal coordination geometry. Supramolecular interactions in 1 include parallel offset face-to-face interactions between inversion-related pyridyl rings and potential hydrogen bonds with chlorine or sulfur as the acceptor. Additional cooperative pyridyl–pyridyl interactions with roughly 45° tilt angles and centroid–centroid distances of less than 5.5 Å likely also contribute to the overall solid-state stability. Hirshfeld surface analysis indicates that H...H (51.2%), Cl...H/H...Cl (13.9%), C...H/H...C (12.3%) and S...H/H...S (11.8%) interactions are dominant in the solid state.

show abstract

Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)

Reynolds,

Berry,

Bebout

2024

Acta Crystallogr E Cryst Commun

View full text Add to dashboard Cite

show abstract

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Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand

Abstract: Despite the concurrence of histidine and cysteine in the active sites of proteins associated with Zn2+, Cd2+ and Hg2+, coordination studies of these metal ions with chelating ligands containing a...

Cited by 1 publication

References 57 publications

Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)

Crystal structure and Hirshfeld surface analysis of {2-[bis(pyridin-2-ylmethyl)amino]ethane-1-thiolato}chloridocadmium(II)

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