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Catena-Poly[manganese(II)-(μ(2)-3,5-di-2-pyridyl-1,2,4-triazol-ato)-μ(2)-formato].

ABSTRACT: Owing to the presence of crystallographic twofold rotation axes (site symmetry 2, Wyckoff letters e and f), the asymmetric unit of the title compound, [Mn(C(12)H(8)N(5))(CHO(2))](n), contains one-half of an Mn(II) cation, one-half of a bpt anion (Hbpt is 3,5-di-2-pyridyl-4H-1,2,4-triazole) and one-half of a formate anion. The bpt and formate ligands occupy the same C(2) symmetry, while the Mn(II) ion resides on another crystallographic twofold rotation axis. Each bpt ligand acts as a cis-bis-chelate to ligate two Mn(II) ions into a one-dimensional chain running along the crystallographic 4(1) screw axis. Adjacent Mn(II) ions are further bridged by a μ(2)-formate ligand, completing the distorted octa-hedral coordination geometry of the cation.

SUBMITTER: Zhang YW

PROVIDER: S-EPMC2961983 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole.

Project description:In the crystal structure of the title compound, C(12)H(10)N(6), the mol-ecules deviate slightly from planarity. The plane of the central triazole ring makes angles of 6.13?(9) and 3.28?(10)° with the pyridyl ring planes. Intra-molecular N-H?N inter-actions form six-membered closed rings. The crystal packing also shows weak C-H?? and C-H?N inter-actions.

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catena-Poly[[triaqua-zinc(II)]-?-1H-1,2,4-triazole-3,5-dicarboxyl-ato].

Project description:In the title compound, [Zn(C(4)HN(3)O(4))(H(2)O)(3)](n), each Zn(II) atom adopts a distorted octa-hedral coordination geometry, being surrounded by one chelating and one monodentate 1H-1,2,4-triazole-3,5-dicarboxyl-ate ligand and three water mol-ecules. Adjacent Zn(II) cations are linked by a 1H-1,2,4-triazole-3,5-dicarboxyl-ate ligand in a ?(2),?(3) fashion to form a chain running along the c axis. The crystal packing is stabilized by N-H?O, O-H?N and O-H?O hydrogen bonds.

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catena-Poly[[[diaqua-(1,3-benzimidazole-κN)manganese(II)]-μ-benzene-1,3-di-carboxyl-ato-κO,O:O] dihydrate].

Project description:In the polymeric title complex, {[Mn(C(8)H(4)O(4))(C(7)H(6)N(2))(H(2)O)(2)]·2H(2)O}(n), the Mn(II) cation is coordinated by two benzene-dicarboxyl-ate anions, one benzimidazole ligand and two water mol-ecules in a distorted MnNO(5) octa-hedral geometry. In the crystal, each benzene-dicarboxyl-ate anion bridges adjacent Mn(II) cations through the terminal carboxyl-ate groups, forming a polymeric complex chain along the a axis. One Mn-O(carboxyl-ate) bond is much longer than the others. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 4.32 (6)°] benzimidazole aromatic ring systems of adjacent mol-ecules, the centroid-centroid distance between the imidazole and benzene rings being 3.5421 (11) Å. Extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure. The two lattice water mol-ecules are located on twofold rotation axes.

| S-EPMC3099958 | biostudies-literature

Tetra-aqua-bis(3,5-di-4-pyridyl-1,2,4-triazolato-?N)nickel(II) dihydrate.

Project description:The Ni(II) atom in the title compound, [Ni(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, lies on a center of inversion and is coordinated by the N atoms of two 3,5-di-4-pyridine-1,2,4-triazolate ligands and by four water O atoms in a slightly distorted octa-hedral geometry. The coordinated and uncoordinated water mol-ecules inter-act with the N-heterocycles through O-H?N and O-H?O hydrogen bonds, generating a three-dimensional supra-molecular architecture.

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Tetra-aqua-bis(3,5-di-4-pyridyl-1H-1,2,4-triazolido)cadmium(II) dihydrate.

Project description:In the title compound, [Cd(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, the Cd(II) atom is located on an inversion center and is coordinated by the two N atoms [Cd-N = 2.278?(2)?Å] and four O atoms [Cd-O = 2.304?(2)-2.322?(2)?Å] in a distorted octa-hedral geometry. Inter-molecular O-H?O and O-H?N hydrogen bonds link the complex into a three-dimensional supra-molecular framework.

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Project description:The Co(II) atom in the title compound, [Co(C(12)H(8)N(5))(2)(H(2)O)(4)]·2H(2)O, lies on a center of inversion and is bonded to two N-heterocycles and to four water mol-ecules in a slightly distorted octahedral coordination. The coordinated and lattice water mol-ecules inter-act with the N-heterocycles through O-H?N hydrogen bonds, generating a three-dimensional supra-molecular architecture.

| S-EPMC2977553 | biostudies-literature

Crystal structure of tetra-aqua-bis(3,5-di-amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis-[bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II)] dihydrate.

Project description:The asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 Co(II) ions (one anionic complex and one half cationic complex) and one water mol-ecule. In the cationic complex, the Co(II) atom is located on an inversion centre and is coordinated by two triazolium cations and four water mol-ecules, adopting an octa-hedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water mol-ecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38?Å between their planes). In the anionic complex, the Co(II) ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-di-carboxyl-ate anions, exhibiting a slightly distorted octa-hedral coordination geometry in which the mean plane of the two pyridine-2,6-di-carboxyl-ate anions are almost perpendicular to each other, making a dihedral angle of 85.87?(2)°. In the crystal, mol-ecules are linked into a three-dimensional network via C-H?O, C-H?N, O-H?O and N-H?O hydrogen bonds.

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Project description:In the title complex, [FeMn(C(8)H(8)N(3))(2)Cl(2)(H(2)O)(2)](n), the Mn(II) atom, located on an inversion center, is octa-hedrally coordinated by two N atoms from two adjacent 1,1'-bis-(1H-1,2,4-triazol-1-ylmeth-yl)ferrocene (btmf) ligands and two Cl atoms forming the equatorial plane, with the axial positions occupied by two O atoms of coordinated water mol-ecules. The btmf ligands link adjoining Mn(II) atoms into a zigzag chain along the a axis. The crystal structure is stabilized by inter-molecular O-H?N hydrogen bonds, which link the chains, forming a two-dimensional layer parallel to (10); O-H?Cl inter-actions link the layers, forming a three-dimensional network.

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3,5-Diamino-4H-1,2,4-triazol-1-ium hydroxonium bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II) pyridine-2,6-dicarb-oxy-lic acid monohydrate.

Project description:The asymmetric unit of the title complex, (C(2)H(6)N(5))(H(3)O)[Co(C(7)H(3)NO(4))(2)]·C(7)H(5)NO(4)·H(2)O, contains a Co(II) ion coordin-ated by four O atoms and two N atoms from two dipicolinate ligands in a disorted octa-hedral environment, a protonated triazole mol-ecule, a neutral pyridine-2,6-dicarb-oxy-lic acid mol-ecule, a hydroxonium ion and a solvent water mol-ecule. In the crystal, the components are linked into a three-dimensional framework by inter-molecular O-H?O, N-H?O and N-H?N and weak C-H?O hydrogen bonds. In addition, ?-? stacking inter-actions with centroid-centroid distances in the range 3.4809?(7)-3.8145?(6)?Å are observed.

| S-EPMC3212175 | biostudies-literature

Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)] di-?-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-?O,N)copper(II)].

Project description:In the title compound, [Cu(C(4)HN(3)O(4))(H(2)O)(3)](2)[Cu(2)(C(4)HN(3)O(4))(2)(H(2)O)(6)], both monomeric and dimeric mol-ecules are present in the solid state. In the monomeric compound, the Cu(II) atom is five-coordinated in a square-pyramidal configuration by one O atom and one N atom from one 1H-1,2,4-triazole-3,5-dicarboxyl-ate (TZDCA(2-)) ligand and three O atoms from water mol-ecules. In the centrosymmetric binuclear complex, each Cu(II) atom is six-coordinated in an octa-hedral geometry by one O atom and one N atom from one TZDCA(2-) ligand and four O atoms from water mol-ecules, two of which bridge the Cu(II) atoms. In the structure, there are intra-molecular O-H?O and N-H?O hydrogen bonds, and in the crystal, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link symmetry-related mol-ecules, forming a three-dimensional supra-molecular structure.

| S-EPMC2977176 | biostudies-literature

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