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

ABSTRACT: 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.

SUBMITTER: Sun YY

PROVIDER: S-EPMC2960531 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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

Sun Yan-Yan YY Zhang Ya-Wen YW Zhang Gong G Cheng Lin L

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

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 μ(2),κ(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. ...[more]

PMID: 21201577

Similar Datasets

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

Poly[triaqua-μ(4)-pyridine-3,5-dicarboxyl-ato-barium(II)].

Project description:The reaction of the proton-transfer compound (pdaH(2))(py-3,5-dc)·H(2)O (pda = propane-1,3-diamine and py-3,5-dcH(2) = pyridine-3,5-dicarboxylic acid) with Ba(NO(3))(2) leads to the formation of the title polymeric compound, [Ba(C(7)H(3)NO(4))(H(2)O)(3)](n). The Ba(II) atom is nine-coordinated by six carboxyl-ate O atoms from the (py-3,5-dc)(2-) ligands, and three O atoms from the coordinated water mol-ecules. The coordination polyhedron around the Ba(II) atom is best described as tricapped trigonal-prismatic. In the crystal structure, inter-molecular inter-actions, such as X-H⋯O hydrogen bonds (X = O and C) and π-π stacking [centroid-centroid distances between pyridine rings of 3.6191 (13) and 3.6192 (13) Å] play an important role in stabilizing the supramolecular structure.

| S-EPMC2960421 | biostudies-literature

Poly[triaqua-tris-(μ(4)-pyridine-3,5-dicarboxyl-ato)dicerium(III)].

Project description:The asymmetric unit of the title compound, [Ce(2)(C(7)H(3)NO(4))(3)(H(2)O)(3)](n), contains two Ce(III) cations, three pyridine-3,5-dicarboxyl-ate (pyd) anions and three coordinated water mol-ecules. One Ce(III) cation is coordinated by seven carboxyl-ate O atoms from six pyd anions and two water mol-ecules in a square-face-capped square-anti-prismatic geometry. Another Ce(III) cation is coordinated by seven O atoms from six pdy anions and one water mol-ecule in a bicapped trigonal-prismatic geometry. The pdy anions bridge the Ce(III) cations, forming the three-dimensional polymeric structure. The crystal structure contains extensive O-H⋯O, O-H⋯N and weak C-H⋯O hydrogen bonds. π-π stacking is present in the crystal structure, the shortest centroid-centroid distance between parallel pyridine rings being 3.509 (4) Å.

| S-EPMC3051676 | biostudies-literature

catena-Poly[[[triaqua-copper(II)]-μ(2)-pyrazine-2,3-dicarboxyl-ato] monohydrate].

Project description:The Cu atom in the title complex, {[Cu(C(6)H(2)N(2)O(4))(H(2)O)(3)]·H(2)O}(n) or {[Cu(L)(H(2)O)(3)]·H(2)O}(n) (L is pyrazine-2,3-dicarbox-yl-ate), displays octa-hedral coordination formed by the ligand L and three coordinated water mol-ecules. The ligand L is tridentate, with one N atom of the pyrazine ring and one O atom of one carboxyl-ate group forming a chelate ring, whereas one O atom from the second carboxyl-ate group is coordinated to another Cu atom. The ligand L links mol-ecules to form an infinite chain parallel to the [101] direction. The chains are further linked through O-H⋯O and O-H⋯N hydrogen bonds involving the water mol-ecules to build up a three-dimensional network.

| S-EPMC2914943 | biostudies-literature

catena-Poly[[triaqua-cadmium(II)]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O].

Project description:The title polymeric compound, [Cd(C(7)H(3)NO(4))(H(2)O)(3)](n) or [Cd(py-2,3-dc)(H(2)O)(3)](n), where py-2,3-dcH(2) is pyridine-2,3-dicarboxylic acid, was obtained by the reaction of cadmium(II) nitrate hexa-hydrate with (pipzH(2))(py-2,3-dc) as a proton-transfer compound in aqueous solution (pipz is piperazine). The mol-ecular structure shows that only the anionic fragment of the starting proton-transfer compound is present in the complex, while the (pipzH(2))(2+) dication has been lost. Each (py-2,3-dc)(2-) ligand bridges two Cd(II) atoms in two different coordination modes, i.e. one end acts as a monodentate and the other end as a bidentate ligand. The three remaining coordination sites on the metal center are occupied by water mol-ecules. The geometric arrangement of the six donor atoms around the Cd(II) atom is distorted octa-hedral. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds play an important role in stabilizing the supra-molecular structure.

| S-EPMC2960211 | biostudies-literature

Poly[(μ(5)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ato)zinc].

Project description:In the polymeric title complex, [Zn(C(9)H(7)NO(4))](n), the Zn(II) cation is located on a twofold rotation axis and is coordinated by five 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (mpdc) anions in a distorted ZnNO(4) trigonal-bipyramidal geometry. The mpdc anion is also located on the twofold rotation axis and bridges five Zn(II) cations, forming the three-dimensional polymeric complex. Weak C-H⋯π inter-actions are present in the crystal structure.

| S-EPMC3151958 | biostudies-literature

catena-Poly[[[triaqua-(4,5-diaza-fluorene-9-one)cadmium]-μ-benzene-1,3-dicarboxyl-ato] dihydrate].

Project description:In the title compound, {[Cd(C(8)H(4)O(4))(C(11)H(6)N(2)O)(H(2)O)(3)]·2H(2)O}(n), the Cd(II) atom is seven-coordinated by two N atoms from the phenanthroline-derived 4,5-diaza-fluorene-9-one ligand, two O atoms from one bidentate benzene-1,3-dicarboxyl-ate ligand and three O atoms from the three water mol-ecules in a distorted penta-gonal-bipyramidal arrangement. Moreover, there are two dissociative water mol-ecules in each unit. Neighbouring units inter-act through π-π inter-actions [centroid-centroid distances = 3.325 (3) and 3.358 (4) Å] and O-H⋯O hydrogen-bonding, resulting in a two-dimensional network extending parallel to (001).

| S-EPMC2969955 | biostudies-literature

Diaqua-[3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole-κN](pyridine-2,6-dicarboxyl-ato-κO,N,O)nickel(II).

Project description:In the title compound, [Ni(C(7)H(3)NO(4))(C(12)H(9)N(5))(H(2)O)(2)], the Ni(II) atom is coordinated in a distorted octa-hedral geometry by one N and two O atoms from a pyridine-2,6-dicarboxyl-ate ligand, one N atom from a 3,5-bis-(4-pyrid-yl)-1H-1,2,4-triazole ligand in equatorial positions and two water mol-ecules in axial positions. The crystal packing is consolidated by inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds.

| S-EPMC3051425 | biostudies-literature

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

Project description: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.

| S-EPMC2961983 | biostudies-literature

catena-Poly[[bis-(pyridine-κN)zinc(II)]-μ-benzene-1,4-dicarboxyl-ato-κO:O].

Project description:In the title coordination polymer, [Zn(C(8)H(4)O(4))(C(5)H(5)N)(2)](n), the Zn(II) atom, located on a twofold rotation axis, is tetra-coordinated by two monodentate O atoms from two different carboxyl-ate groups and two pyridyl N atoms, forming a distorted tetra-hedral geometry. The Zn(II) atoms are bridged by terephthalate ligands, generating an infinite zigzag chain along [101].

| S-EPMC3007002 | biostudies-literature

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