Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands

3-Methylbenzoic acid (3-mbH) and 2,2′-bipyridine (bipy) reacted with a copper(II) salt forming a new mixed ligand complex, aqua(2,2′-bipyridine-κ2N,N′)bis(3-methylbenzoato)-κ2O,O′;κO-copper(II) 0.68-hydrate, [Cu(C8H7O2)2(C10H8N2)(H2O)]·0.68H2O or [Cu(3-mb)2(bipy)(H2O)]·0.68H2O. The coordination envi...

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Bibliographic Details
Main Author: Adnan Qadir
Format: Article
Language:English
Published: International Union of Crystallography 2023-09-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989023006904
Description
Summary:3-Methylbenzoic acid (3-mbH) and 2,2′-bipyridine (bipy) reacted with a copper(II) salt forming a new mixed ligand complex, aqua(2,2′-bipyridine-κ2N,N′)bis(3-methylbenzoato)-κ2O,O′;κO-copper(II) 0.68-hydrate, [Cu(C8H7O2)2(C10H8N2)(H2O)]·0.68H2O or [Cu(3-mb)2(bipy)(H2O)]·0.68H2O. The coordination environment of CuII is a distorted octahedron. The metal atom is attached to two 3-mb moieties, which bind in monodentate and bidentate fashions. One of the 3-mb units is disordered. The coordination environment is completed by one bipy ligand and a water molecule. A second water molecule is outside the coordination sphere of the CuII atom and its occupancy refined to 0.68. The structure consists of chains along the b-axis direction formed by complex units joined via hydrogen bonds between the coordinated water molecule and an O atom of a coordinated 3-mb unit. Hirshfeld surface analysis indicates that the most abundant contacts are H...H (56.8%), H...C/C...H (21.7%) and H...O/O...H (13.7%).
ISSN:2056-9890