Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN1)copper(II)

Ömür Aydın,Nagihan Çaylak Delibaş,Hacali Necefoğlu,Tuncer Hökelek

doi:10.1107/s1600536812034587

Ömür Aydın, Nagihan Çaylak Delibaş + Show 2 more

Open Access

https://doi.org/10.1107/s1600536812034587

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Abstract

In the title complex, [Cu(C7H4IO2)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules in a distorted octahedral coordination geometry. The dihedral angle between the carboxylate group and the adjacent benzene ring is 32.12 (14)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.02 (5)°. The coordinating water molecule links with the carboxylate group via an intramolecular O—H⋯O hydrogen bond. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional supramolecular network.

Highlights

In the title complex, [Cu(C7H4IO2)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules in a distorted octahedral coordination geometry
The dihedral angle between the carboxylate group and the adjacent benzene ring is 32.12 (14), while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.02 (5)
N—HÁ Á ÁO, O—HÁ Á ÁO and weak C—HÁ Á ÁO hydrogen bonds link the molecules into a three-dimensional supramolecular network

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 A; R factor = 0.021; wR factor = 0.058; data-to-parameter ratio = 17.4. In the title complex, [Cu(C7H4IO2)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules in a distorted octahedral coordination geometry. The dihedral angle between the carboxylate group and the adjacent benzene ring is 32.12 (14), while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.02 (5). The coordinating water molecule links with the carboxylate group via an intramolecular O—HÁ Á ÁO hydrogen bond. N—HÁ Á ÁO, O—HÁ Á ÁO and weak C—HÁ Á ÁO hydrogen bonds link the molecules into a three-dimensional supramolecular network

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