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Catena-Poly[[aqua-bis-(N-benzyl-adenine-?N)copper(II)]-?-benzene-1,4-dicarboxyl-ato-?O:O].

ABSTRACT: In the title compound, [Cu(C(8)H(4)O(4))(C(12)H(11)N(5))(2)(H(2)O)](n), the Cu(II) ion is five-coordinated by two carboxyl-ate O atoms from two symmetry-related benzene-1,4-dicarboxyl-ate ligands, two N atoms from two symmetry-related N(6)-benzyl-adenine ligands and one water O atom in a square-pyramidal environment. The Cu(II) and water O atoms lie on a twofold rotation axis, and the benzene-1,4-dicarboxyl-ate ligand lies on an inversion center. The water O atom occupies the apical position and the basal plane is occupied by two O atoms and two N atoms. Each benzene-1,4-dicarboxyl-ate anion acts as a bis-monodentate ligand that binds two Cu(II) cations, forming an infinite chain extending parallel to [001]. The N(6)-benzyl-adenine ligands are attached on both sides of the chain. Neighboring chains are further inter-connected into the resulting three-dimensional supra-molecular architecture via O-H?O, N-H?O and N-H?N hydrogen bonds.

SUBMITTER: Li WB

PROVIDER: S-EPMC3200734 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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catena-Poly[[aqua-bis-(N-benzyl-adenine-κN)copper(II)]-μ-benzene-1,4-dicarboxyl-ato-κO:O].

Li Wen-Bo WB

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

In the title compound, [Cu(C(8)H(4)O(4))(C(12)H(11)N(5))(2)(H(2)O)](n), the Cu(II) ion is five-coordinated by two carboxyl-ate O atoms from two symmetry-related benzene-1,4-dicarboxyl-ate ligands, two N atoms from two symmetry-related N(6)-benzyl-adenine ligands and one water O atom in a square-pyramidal environment. The Cu(II) and water O atoms lie on a twofold rotation axis, and the benzene-1,4-dicarboxyl-ate ligand lies on an inversion center. The water O atom occupies the apical position and ...[more]

PMID: 22058863

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