Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)copper(II)

Mustafa Sertçelik,Hacali Necefoğlu,Tuncer Hökelek,Nagihan Çaylak Delibaş

doi:10.1107/s1600536812028814

Mustafa Sertçelik, Hacali Necefoğlu + Show 2 more

Open Access

https://doi.org/10.1107/s1600536812028814

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Abstract

In the title complex, [Cu(C8H5O3)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules in an elongated distorted octahedral geometry. The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.00 (10)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 85.34 (4)°. An intramolecular O—H⋯O hydrogen bond occurs between coordinating water molecule and the carboxylate group. 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. A weak C—H⋯π interaction also occurs in the crystal.

Highlights

CuII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules in an elongated distorted octahedral geometry
The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.00 (10), while the pyridine ring and the benzene ring are oriented at a dihedral angle of 85.34 (4)
Symmetry codes: (i) −x, −y, −z; (ii) x, y, z−1; (iii) −x−1, −y, −z−1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) −x, −y+1, −z+2

Summary

Necefoğlua and Tuncer Hökelekc*

R factor = 0.025; wR factor = 0.066; data-to-parameter ratio = 16.1. CuII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules in an elongated distorted octahedral geometry. The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.00 (10) , while the pyridine ring and the benzene ring are oriented at a dihedral angle of 85.34 (4). O—H O hydrogen bond occurs between coordinating water molecule and the carboxylate group. N—H O, O—H O and weak C—H O hydrogen bonds link the molecules into a three-dimensional supramolecular network. A weak C—H interaction occurs in the crystal

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