Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2N,O)copper(II)

In the title coordination complex, (C4H8N3S2)2[Cu(C6H4NO2)2(ClO4)2], the CuII center exhibits a distorted octahedral geometry with an equatorial plane formed by two bidentate picolinato ligands and axial coordination from two perchlorate anions, consistent with a Jahn–Teller distortion. The crystal...

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Bibliographic Details
Published in:Acta Crystallographica Section E: Crystallographic Communications
Main Authors: Gulnaz Khojabaeva, Batirbay Torambetov, Rajesh G. Gonnade, Zamira Uzakbergenova, Abdusamat Rasulov, Shakhnoza Kadirova
Format: Article
Language:English
Published: International Union of Crystallography 2025-07-01
Subjects:
crystal structure
copper(ii) complex
picolinate ligand
thiadiazole cation
hirshfeld surface analysis
hydrogen bonding
supramolecular interactions
jahn–teller distortion
Online Access:https://journals.iucr.org/paper?S2056989025004992
Description
Summary:In the title coordination complex, (C4H8N3S2)2[Cu(C6H4NO2)2(ClO4)2], the CuII center exhibits a distorted octahedral geometry with an equatorial plane formed by two bidentate picolinato ligands and axial coordination from two perchlorate anions, consistent with a Jahn–Teller distortion. The crystal structure is further consolidated by a network of hydrogen bonds involving the thiadiazole-based cations, which reside in the outer coordination sphere in a unique protonated state. Hirshfeld surface analysis reveals that O...H/H...O contacts dominate the intermolecular interactions, contributing significantly to the crystal packing.
ISSN:2056-9890

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