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Diaqua-dichloridobis[quinazolin-4(1H)-one-?N]copper(II).

ABSTRACT: In the title complex, [CuCl(2)(C(8)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu-O distances are significantly longer [2.512?(2)?Å], than the Cu-N [2.022?(2)?Å] and Cu-Cl [2.3232?(4)?Å] distances as a result of Jahn-Teller distortion. Aqua ligands are involved in intra- and inter-molecular hydrogen bonding, and N-H?O inter-molecular hydrogen bonds are formed between the organic ligands. In addition, weak ?-? inter-actions are observed between the benzene rings of the ligand [centroid-centroid distance = 3.678?(1)?Å].

SUBMITTER: Turgunov K

PROVIDER: S-EPMC3011606 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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Diaqua-dichloridobis[quinazolin-4(1H)-one-κN]copper(II).

Turgunov Kambarali K Shomurotova Shirin S Mukhamedov Nasir N Tashkhodjaev Bakhodir B

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

In the title complex, [CuCl(2)(C(8)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu-O distances are significantly longer [2.512 (2) Å], than the Cu-N [2.022 (2) Å] and Cu-Cl [2.3232 (4) Å] distances as a result of Jahn-Teller distortion. Aqua ligands are involved in intra- and inter-molecular hydrogen bonding, and N-H⋯O inter-molecula ...[more]

PMID: 21589337

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