Diaquadichloridobis[quinazolin-4(1H)-one-κN 3]nickel(II)

Shirin Shomurotova,Kambarali K Turgunov,Nasir Mukhamedov,Bakhodir Tashkhodjaev

doi:10.1107/s1600536812019381

Shirin Shomurotova, Kambarali K Turgunov + Show 2 more

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https://doi.org/10.1107/s1600536812019381

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Abstract

In the title complex, [NiCl2(C8H6N2O)2(H2O)2], the NiII ion is located on an inversion center and is six-coordinated by two N atoms of 1H-quinazolin-4-one ligands, two chloride ions and two water molecules. The water molecules are involved in intra- and intermolecular O—H⋯O and O—H⋯Cl hydrogen bonding. Intermolecular N—H⋯O and N—H⋯Cl hydrogen bonds are formed between ligands. In addition, weak π–π interactions are observed between the benzene rings of the ligands [centroid–centroid distance = 3.580 (3) Å]. The intermolecular hydrogen bonds and π–π interactions lead to the formation of a three-dimensional supramolecular network.

Highlights

In the title complex, [NiCl2(C8H6N2O)2(H2O)2], the NiII ion is located on an inversion center and is six-coordinated by two N atoms of 1H-quinazolin-4-one ligands, two chloride ions and two water molecules
The water molecules are involved in intra- and intermolecular O—H O and O—H Cl hydrogen bonding
The intermolecular hydrogen bonds and – interactions lead to the formation of a three-dimensional supramolecular network

Summary

Crystal data

Mukhamedovb and Bakhodir Tashkhodjaevb a Tashkent State Pedagogical University Named After Nizami, Yusuf Khos Khojib Str. Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str 77, Tashkent 100170, Uzbekistan. R factor = 0.052; wR factor = 0.139; data-to-parameter ratio = 12.8. In the title complex, [NiCl2(C8H6N2O)2(H2O)2], the NiII ion is located on an inversion center and is six-coordinated by two N atoms of 1H-quinazolin-4-one ligands, two chloride ions and two water molecules. The water molecules are involved in intra- and intermolecular O—H O and O—H Cl hydrogen bonding. Intermolecular N—H O and N—H Cl hydrogen bonds are formed between ligands. Weak – interactions are observed between the benzene rings of the ligands [centroid–centroid distance = 3.580 (3) Å]. The intermolecular hydrogen bonds and – interactions lead to the formation of a three-dimensional supramolecular network

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