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).
Highlights
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 octahedral coordination is completed by two pyridine N atoms at distances of 2.3289 (15) A
The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from HÁ Á ÁH (70.0%), HÁ Á ÁO/OÁ Á ÁH (15.5%) and HÁ Á ÁC/CÁ Á ÁH (14.0%) interactions
Summary
Nicotinamide (NA) is one form of niacin. A deficiency of this vitamin leads to loss of copper from the body, known as pellagra disease. The structures of some complexes obtained from the reactions of transition metal(II) ions with nicotinamide (NA), N,N-Diethylnicotinamide (DENA) and some benzoic acid derivatives as ligands, e.g. The structure–function–coordination relationships of the arylcarboxylate ion in MnII complexes of benzoic acid derivatives may change depending on the nature and position of the substituted groups on the benzene ring, the nature of the additional ligand molecule or solvent, and the pH and temperature of synthesis (Shnulin et al, 1981; Nadzhafov et al, 1981; Antsyshkina et al, 1980; Adiwidjaja et al, 1978). When pyridine and its derivatives are used instead of water molecules, the structure is completely different (Catterick et al, 1974) In this context, the MnII-containing title compound, (I), with 2,4,6-trimethylbenzoate (TMB) and DENA ligands, namely diaquabis(N,N-diethylnicotinamide -N1)bis(2,4,6-trimethylbenzoato-O1) manganese(II), [Mn(DENA)2(TMB)2(H2O)2], was synthesized and its crystal structure is reported on . O—Mn—O and O–Mn—N bond angles [range 87.88 (6) to 92.12 (6) for cis angles; all trans angles are 180 due to symmetry] deviate slightly from ideal values, with same average values of 90.00 (6)
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