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Bis(guanidinium) tris-(pyridine-2,6-dicarboxyl-ato-?(3)O(2),N,O(6))zirconate(II) tetra-hydrate.

ABSTRACT: In the title complex, (CH(6)N(3))(2)[Zr(C(7)H(3)NO(4))(3)]·4H(2)O, the Zr(IV) ion lies on a twofold rotation axes and is coordinated by six O and three N atoms of three tridentate pyridine-2,6-dicarboxyl-ate ligands, forming a slightly distorted tricapped trigonal-prismatic geometry. In the crystal, O-H?O and N-H?O hydrogen bonds link the components into a three-dimensional network.

SUBMITTER: Tabatabaee M

PROVIDER: S-EPMC3343856 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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Bis(guanidinium) tris-(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))zirconate(II) tetra-hydrate.

Tabatabaee Masoumeh M Adineh Mahnaz M Derikvand Zohreh Z Attar Gharamaleki Jafar J

Acta crystallographica. Section E, Structure reports online 20120324 Pt 4

In the title complex, (CH(6)N(3))(2)[Zr(C(7)H(3)NO(4))(3)]·4H(2)O, the Zr(IV) ion lies on a twofold rotation axes and is coordinated by six O and three N atoms of three tridentate pyridine-2,6-dicarboxyl-ate ligands, forming a slightly distorted tricapped trigonal-prismatic geometry. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the components into a three-dimensional network. ...[more]

PMID: 22589830

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Hexaaqua-nickel(II) tetra-aqua-bis-(?-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-?-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [3.570?(1), 3.758?(1) and 3.609?(1)?Å], are observed in the crystal structure.

| S-EPMC3007465 | biostudies-literature

Tetra-kis(1,10-phenanthroline)bis-(?-pyridine-2,6-dicarboxyl-ato)(pyridine-2,6-di-carboxyl-ato)dicopper(II)terbium(III) nitrate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu?Tb distance of 5.0592?(11)?Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H?O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive ?-? stacking inter-actions [centroid-centroid distances = 4.332?(7) and 3.878?(5)?Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.

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Bis(2,4,6-triamino-1,3,5-triazin-1-ium) tris-(pyridine-2,6-dicarboxyl-ato)-zirconate(IV) tetra-hydrate.

Project description:The title compound, (C(3)H(7)N(6))(2)[Zr(C(7)H(3)NO(4))(3)]·4H(2)O or (tataH)(2)[Zr(pydc)(3)]·4H(2)O (tata is 2,4,6-triamino-1,3,5-triazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was obtained by reaction between pydcH(2), tata and zirconyl chloride octa-hydrate in aqueous solution. In the structure, the Zr(IV )atom is nine-coordinated by three (pydc)(2-) groups, resulting in an anionic complex which is balanced by two (tataH)(+) cations. One of the NH(2) groups shows positional disorder, with site occupation factors of 0.60 and 0.40. There are four uncoordinated water mol-ecules (one of which is disordered with occupation factors of 0.70 and 0.30) in the crystal structure. Several inter-molecular inter-actions, including O-H?O, O-H?N, N-H?O, N-H?N, C-H?O and C-H?N hydrogen bonds, a C-O?? inter-action [O?Cg 3.89, C?Cg 4.068?(3)?Å; C-O?Cg 89° where Cg is the centroid of the triamine ring], and ?-? stacking [with centroid-centroid distances of 3.694?(2) and 3.802?(2)?Å] are also present.

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Piperazine-1,4-diium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cobaltate(II) tetra-hydrate.

Project description:The asymmetric unit of the title complex, (C(4)H(12)N(2))[Co(C(7)H(3)NO(4))(2)]·4H(2)O, consists of one piperazinediium dication, one [Co(py-2,6-dc)(2)](2-) dianion (where py-2,6-dc is pyridine-2,6-dicarboxyl-ate) and four water mol-ecules. The piperazinediium cation adopts a chair conformation and the Co(II) ion is six-coordinated in an N(2)O(4) environment, having a distorted octa-hedral geometry. In the crystal, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds link the components, forming a three-dimensional network.

| S-EPMC3151836 | biostudies-literature

Propane-1,2-diaminium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cuprate(II) tetra-hydrate.

Project description:In the title compound, (C(3)H(12)N(2))[Cu(C(7)H(3)NO(4))(2)]·4H(2)O, the Cu(II) atom is six-coordinated in a distorted octa-hedral geometry by two tridentate pyridine-2,6-dicarboxyl-ate (pydc) ligands. In the crystal, inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds, as well as ?-? stacking inter-actions between the pyridine rings of the pydc ligands [centroid-centroid distance = 3.4714?(14)?Å] are present. C=O?? inter-actions between the carbonyl groups and pyridine rings [O?centroid distances = 3.150?(2) and 3.2233?(19)?Å] are also observed.

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Project description:The reaction of nickel(II) nitrate hexa-hydrate, propane-1,2-diamine and pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C(3)H(12)N(2))[Ni(C(7)H(3)NO(4))(2)]·4H(2)O or (p-1,2-daH(2))[Ni(pydc)(2)]·4H(2)O (where p-1,2-da is propane-1,2-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid). The geometry of the resulting NiN(2)O(4) coordination can be described as distorted octa-hedral. Considerable C=O?? stacking inter-actions are observed between the carboxyl-ate C=O groups and the pyridine rings of the (pydc)(2-) fragments, with O?? distances of 3.1563?(12) and 3.2523?(12)?Å and C=O?? angles of 95.14?(8) and 94.64?(8)°. In the crystal structure, a wide range of non-covalent inter-actions, consisting of hydrogen bonding [O-H?O, N-H?O and C-H?O, with D?A distances ranging from 2.712?(2) to 3.484?(2)?Å], ion pairing, ?-? [centroid-to-centroid distance = 3.4825?(8)?Å] and C=O?? stacking, connect the various components to form a supra-molecular structure.

| S-EPMC2961796 | biostudies-literature

[(Pyridine-2,6-dicarboxyl-ato)copper(II)]-?-(pyridine-2,6-dicarboxyl-ato)-[bis-(ethyl-enediamine)-copper(II)]-?-(pyridine-2,6-dicarboxyl-ato)-[(pyridine-2,6-dicarboxyl-ato)copper(II)] ethyl-enediamine monosolvate tetra-hydrate.

Project description:The title compound, [Cu(3)(C(7)H(3)NO(4))(4)(C(2)H(8)N(2))(2)]·C(2)H(8)N(2)·4H(2)O, was obtained by the reaction of copper(II) acetate dihydrate with pyridine-2,6-dicarb-oxy-lic acid (H(2)dipic) and ethyl-enediamine (en) in an aqueous solution. All of the Cu(II) atoms in the trinuclear centrosymmetric title complex are six-coordinated in a distorted octa-hedral geometry with N(2)O(4) and N(4)O(2) environments for the outer and central Cu(II) atoms, respectively. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [O?centroid distances = 3.669?(2) and 3.668?(2)?Å] are observed in the crystal structure.

| S-EPMC3379149 | biostudies-other

Poly[[dodeca-aqua-bis-(?(3)-pyridine-2,6-dicarboxyl-ato)tetra-kis-(?(2)-pyridine-2,6-dicarboxyl-ato)tri-calciumdieuropium(III)] 10.5-hydrate].

Project description:In the title compound, {[Ca(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·10.5H(2)O}(n), the Eu(III) ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate (PDA) ligands, forming a [Eu(PDA)(3)](3-) building block. The Ca(2+) ions adopt two types of coordination geometries. One Ca(2+) ion, lying on a twofold rotation axis, is eight-coordinated by four carboxyl-ate O atoms from four PDA ligands and four water mol-ecules, and the other two Ca(2+) ions, each lying on an inversion center, are six-coordinated by two carboxyl-ate O atoms from two PDA ligands and four water mol-ecules. The carboxyl-ate groups bridge the Eu(III) and Ca(2+) ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water mol-ecules are located. Two of the lattice water mol-ecules are disordered over two sets of sites with equal occupancy and one water mol-ecule is 0.25-occupied. Numerous O-H?O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms are present.

| S-EPMC3344405 | biostudies-literature

Tetra-kis(2,4,6-triamino-1,3,5-triazin-1-ium) tris-(pyridine-2,6-dicarboxyl-ato)calcate(II) hexa-hydrate.

Project description:The title compound, (C(3)H(7)N(6))(4)[Ca(C(7)H(3)NO(4))(3)]·6H(2)O or (tataH)(4)[Ca(pydc)(3)]·6H(2)O (where tata is 2,4,6-triamino-1,3,5-triazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Ca(NO(3))(2)·4H(2)O with the proton-transfer compound (tataH)(2)(pydc) in aqueous solution. The [Ca(pydc)(3)](4-) anion has twofold crystallographic symmetry. It is a nine-coordinate Ca(II) complex with a distorted tricapped trigonal-prismatic coordination geometry. The structure also contains four tataH(+) cations and six uncoordinated water mol-ecules. There are extensive O-H⋯O, O-H⋯N, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds in the crystal structure.

| S-EPMC2961976 | biostudies-literature

Benzene-1,3-diammonium bis-(pyridine-2,6-dicarboxyl-ato)nickelate(II) penta-hydrate.

Project description:In the title compound, (C(6)H(10)N(2))[Ni(C(7)H(3)NO(4))(2)]·5H(2)O, the Ni(II) ion is six-coordinated by two N and four O atoms from two pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral fashion. The crystal packing is stabilized by inter-molecular O-H?O and N-H?O and weak C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distances = 3.4669?(19) and 3.764?(2)?Å].

| S-EPMC3051631 | biostudies-literature

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