Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(N ,N -di-ethyl-nicotinamide-κN1 )bis-(2,4,6-tri-methyl-benzoato-κO )manganese(II)

Acta Crystallographica. Section E, Crystallographic Communications
Tuncer HökelekHacali Necefoğlu

Abstract

In the title centrosymmetric complex, [Mn(C10H11O2)2(C10H14N2O)2(H2O)2], the MnII cation is located on an inversion centre. The four O atoms form a slightly distorted square-planar arrangement around the MnII cation, and the distorted octa-hedral coordination is completed by two pyridine N atoms at distances of 2.3289 (15) Å. The dihedral angle between the planar carboxyl-ate group and the adjacent benzene ring is 87.73 (16)°, while the benzene and pyridine rings are oriented at a dihedral angle of 43.03 (8)°. In the crystal, the water mol-ecules are involved in both intra-molecular (to the non-coordinating carboxyl-ate O atom) and inter-molecular (to the amide carbonyl O atom) O-H⋯O hydrogen bonds. The latter lead to the formation of layers parallel to (100). These layers are further linked via weak C-H⋯O hydrogen bonds, resulting in a three-dimensional supra-molecular network. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (70.0%), H⋯O/O⋯H (15.5%) and H⋯C/C⋯H (14.0%) inter-actions. One of the ethyl groups of the di-ethyl-nicotinamide ligand is disordered over two sets of sites, with an occupancy ratio of 0.282 (10):0.718 (10).

References

Feb 1, 1974·The American Journal of Clinical Nutrition·K A Krishnamachari
Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jan 26, 2008·Chemical Communications : Chem Comm·Joshua J McKinnonMark A Spackman
Jan 28, 2009·Acta Crystallographica. Section D, Biological Crystallography·Anthony L Spek
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Tuncer HökelekHacali Necefoğlu
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Tuncer HökelekHacali Necefoğlu
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·Tuncer HökelekHacali Necefoğlu
Jan 1, 2009·Acta Crystallographica. Section E, Structure Reports Online·T HökelekH Necefoğlu
Aug 26, 2015·IUCrJ·Venkatesha R HathwarBo Brummerstedt Iversen
Oct 10, 2015·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Perumal VenkatesanTom Sundius

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Citations

Aug 18, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Pinar SenNecmi Dege

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