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Trans-Diaqua-bis{1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane}zinc(II) bis-(perchlorate).

ABSTRACT: The Zn(II) ion in the title compound, [Zn(C(15)H(14)N(10))(H(2)O)(2)](ClO(4))(2), lies on a centre of symmetry. The distorted N(4)O(2) octa-hedral coordination environment around the Zn atom is composed of two 1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane ligands (L1) and two water mol-ecules, coordinated in trans positions. The ligand acts as a typical bidentate chelating ligand through one of its 2-pyridyl-2H-tetra-zole units, forming a five-membered Zn-N-C-C-N metallacycle with a small N-Zn-N bite angle [77.40 (8)°]. The other 2-pyridyl-2H-tetra-zole unit remains uncoordinated. The average Zn-N distance (2.156 Å) is somewhat longer than the distance between the Zn(II) center and the aqua ligand [2.108 (2) Å]. The coordinated pyrid-yl-tetra-zoyl rings are quasi-coplanar, making a dihedral angle of 1.9 (2)°, while the uncoordinated rings show a larger inter-planar angle of 21.3 (2)°. The flexible propane spacer displays a zigzag chain. Inter-molecular O-H⋯N and O-H⋯O inter-actions result in two-dimensional polymeric structures parallel to (100). Two C atoms of the spacer are disordered over two positions, with site occupancy factors of ca 0.85 and 0.15.

SUBMITTER: Gallardo H

PROVIDER: S-EPMC2960969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diaqua-bis{2-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]acetato-?N,N}zinc(II).

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Project description:In the title compound, [Co(C(13)H(14)N(2))(2)(H(2)O)(4)](C(12)H(8)O(6)S(2))·H(2)O, the cation, anion and uncoordinated water mol-ecule have crystallographically imposed twofold symmetry. The cobalt(II) atom exhibits a slightly distorted octa-hedral coordination geometry provided by two N atoms from two 1,3-bis-(4-pyrid-yl)propane ligands and the O atoms from four water mol-ecules. The dihedral angle between the pyridine rings in the ligand is 86.14 (11)°, whereas the dihedral angle formed by the symmetry-related benzene rings in the anion is 35.81 (12)°. In the crystal, cations, anions and water mol-ecules are linked into layers parallel to the ac plane by O-H⋯O and O-H⋯N hydrogen-bond inter-actions. The layers are further connected into a three-dimensional network by C-H⋯O hydrogen bonds.

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Project description:In the title compound, C(20)H(14)N(6), there are two mol-ecules with similar conformations in the asymmetric unit. The pyridine and tetra-zole rings are nearly coplanar; they are twisted from each other by dihedral angles of only 8.7 (2) and 7.4 (2)°. The nearer benzene ring makes dihedral angles of 69.9 (2) and 88.5 (2)° with the tetra-zole ring in the two mol-ecules.

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