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Creatininium bis-(pyridine-2,6-dicarboxyl-ato)chromate(III) pyridine-2,6-dicarboxylic acid hexa-hydrate.

ABSTRACT: The title compound, (C(4)H(8)N(3)O)[Cr(C(7)H(3)NO(4))(2)]·C(7)H(5)NO(4)·6H(2)O, was obtained by the reaction of Cr(NO(3))(3)·9H(2)O with pyridine-2,6-dicarboxylic acid (pydcH(2)) and creatinine (creat) in aqueous solution (molar ratio 1:2:2). The cation is a protonated creatinine (creatH(+)) while the anion is a bis-pydc(2-) Cr(III) complex. The Cr(III) is coordinated by four oxygen and two nitro-gen atoms of two (pydc)(2-) groups and has a disorted octa-hedral coordination environment. The structure also contains a neutral mol-ecule of pydcH(2) that is hydrogen bonded to the creatH(+) and six mol-ecules of water. Extensive inter-molecular inter-actions, including seventeen classical hydrogen bonds, two weak C-H?O bonds, and C-O?? stacking inter-actions, with O?centroid distances of 3.211?(13) and 3.300?(12)?Å, connect the various components in the crystal structure.

SUBMITTER: Aghabozorg H

PROVIDER: S-EPMC2959312 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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Creatininium bis-(pyridine-2,6-dicarboxyl-ato)chromate(III) pyridine-2,6-dicarboxylic acid hexa-hydrate.

Aghabozorg Hossein H Derikvand Zohreh Z Olmstead Marilyn M MM Attar Gharamaleki Jafar J

Acta crystallographica. Section E, Structure reports online 20080906 Pt 10

The title compound, (C(4)H(8)N(3)O)[Cr(C(7)H(3)NO(4))(2)]·C(7)H(5)NO(4)·6H(2)O, was obtained by the reaction of Cr(NO(3))(3)·9H(2)O with pyridine-2,6-dicarboxylic acid (pydcH(2)) and creatinine (creat) in aqueous solution (molar ratio 1:2:2). The cation is a protonated creatinine (creatH(+)) while the anion is a bis-pydc(2-) Cr(III) complex. The Cr(III) is coordinated by four oxygen and two nitro-gen atoms of two (pydc)(2-) groups and has a disorted octa-hedral coordination environment. The stru ...[more]

PMID: 21200994

Similar Datasets

Hydroxonium hydrate tris-(2,4,6-tri-amino-1,3,5-triazin-1-ium) bis-[bis-(pyri-dine-2,6-dicarboxyl-ato)cuprate(II)] pyridine-2,6-dicarboxylic acid hexa-hydrate.

Project description:The reaction of copper(II) nitrate hexa-hydrate with pyridine-2,6-dicarboxylic acid (pydcH(2)) and 2,4,6-triamino-1,3,5-triazine (melamine) in aqueous solution in a 1:2:2 molar ratio gave the title compound, (H(5)O(2))(C(3)H(7)N(6))(3)[Cu(C(7)H(3)NO(4))(2)](2)·C(7)H(5)NO(4)·6H(2)O. The hydroxonium hydrate (H(5)O(2))(+), also known as the Zundel cation, resides on a twofold rotation axis. The O-H distance is 1.274?(14)?Å, the O?O distance is 2.518?(5)?Å, and the O-H-O angle is 162?(8)°. One of the melamine H(+) cations, the uncoordinated pydcH(2), and two water mol-ecules also reside on crystallographic twofold axes. The Cu(II) atom has a tetra-gonally distorted octa-hedral coordination environment. The structure features extensive hydrogen bonding, with 21 distinct inter-actions. There is also a centrosymmetric C=O?? inter-action with an O?centroid distance of 3.288?(3)?Å. The structure is similar to a mixed-valence manganese(II/III) structure but shows inter-esting differences in the metal-atom coordination. One of the water molecules is equally disordered with respect to a twofold axis.

| S-EPMC2968149 | biostudies-literature

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

Hydroxonium creatininium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cobaltate(II) trihydrate.

Project description:The title compound, (C(4)H(8)N(3)O)(H(3)O)[Co(C(7)H(3)NO(4))(2)]·3H(2)O, contains a protonated creatininium cation, a hydrox-onium (H(3)O)(+) cation, a [Co(pydc)(2)](2-) (pydcH(2) = pyridine-2,6-dicarboxylic acid) complex anion, and three uncoordinated water mol-ecules. The Co(II) atom is coordinated by four O and two N atoms from two pydc ligands in a distorted octa-hedral environment. The structure also contains three uncoordinated water mol-ecules. Extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds, ?-? stacking inter-actions [centroid-centroid distances = 3.565?(14) and 3.425?(14)?Å] and O?? inter-actions [O?centroid distance = 3.480?(2)?Å] connect the various components in the crystal structure.

| S-EPMC2969222 | biostudies-literature

Hydroxonium creatininium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)nickel-ate(II) trihydrate.

Project description:The title compound, (C(4)H(8)N(3)O)(H(3)O)[Ni(C(7)H(3)NO(4))(2)]·3H(2)O, exhibits isotypism with its Co(II) analogue. All intramolecular distances and angles are similar for the two structures. This applies also for the intermolecular forces, consisting of O-H?O and N-H?O hydrogen bonds and ?-? interactions [with centroid-centroid distances of 3.428?(2) and 3.579?(2)?Å], that lead to a cohesion of the structure.

| S-EPMC2969276 | biostudies-literature

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

Dianilinium bis-(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))cuprate(II) hexa-hydrate.

Project description:The asymmetric unit of the title complex, (C(6)H(8)N)(2)[Cu(C(7)H(3)NO(4))(2)]·6H(2)O, contains half a copper(II)-dipicolinate complex located on a twofold rotation axis, one protonated aniline mol-ecule and three solvent water mol-ecules. The Cu(II) atom is coordinated by four O atoms and two N atoms from two dipicolinate ligands in a distorted octa-hedral environment. In the crystal, the components are linked into a three-dimensional framework by inter-molecular O-H⋯O and N-H⋯O inter-actions.

| S-EPMC3414097 | 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

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hexa-aqua-cobalt(II) bis-[bis-(pyridine-2,6-dicarboxyl-ato)cobaltate(II)] tetra-hydrate.

Project description:The title compound, (C(3)H(7)N(6))(2)[Co(H(2)O)(6)][Co(C(7)H(3)NO(4))(2)](2)·4H(2)O, or (tataH)(2)[Co(H(2)O)(6)][Co(pydc)(2)](2)·4H(2)O (where tata is 2,4,6-triamino-1,3,5-triazine and pydc is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Co(NO(3))(2)·6H(2)O with the proton-transfer compound (tataH)(2)(pydc) in aqueous solution. The [Co(pydc)(2)](2-) anion is a six-coordinate Co(II) complex with a distorted octa-hedral coordination geometry. The structure also contains hexa-aqua-cobalt(II) cations (site symmetry ), (tataH)(+) cations and uncoordinated water mol-ecules. The two(pydc)(2-) ligands in each [Co(pydc)(2)](2-) anion are almost perpendicular to each other [dihedral angle between their mean planes = 82.3?(1)°]. There is extensive O-H?O, N-H?N, O-H?N and C-H?O hydrogen bonding in the structure, as well as ?-? stacking between (pydc)(2-) ligands with an inter-planar distance of 3.484?(15)?Å.

| S-EPMC2915120 | biostudies-literature

2,6-Diamino-pyridinium bis-(4-hydroxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)chromate(III) dihydrate.

Project description:The reaction of chromium(III) nitrate hexa-hydrate, pyridine-2,6-diamine and 4-hydroxy-pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C(5)H(8)N(3))[Cr(C(7)H(3)NO(5))(2)]·2H(2)O or (pydaH)[Cr(hypydc)(2)]·2H(2)O (where pyda is pyridine-2,6-diamine and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid). Each Cr(III )atom is hexa-coordinated by four O and two N atoms from two (hypydc)(2-) fragments, which act as tridentate ligands, in a distorted octa-hedral geometry. The O-Cr-O-C torsion angles between the two planes of the (hypydc)(2-) fragments [-99.81?(17) and 97.77?(17)°] indicate that these two units are almost perpendicular to one another. In the crystal structure, extensive O-H?O, N-H?O and C-H?O hydrogen bonds with D?A distances ranging from 2.560?(2) to 3.279?(3)?Å, ion pairing, C-O?? [O?? = 3.166?(2)?Å] and ?-? stacking inter-actions between (hypydc)(2-) and (pydaH)(+) rings [with a centroid-centroid distance of 3.3353?(14)?Å] contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2960621 | biostudies-literature

Tetra-?-aqua-octaaqua-bis(?-4-chloro-pyridine-2,6-dicarboxyl-ato)bis-(4-chloro-pyridine-2,6-dicarboxyl-ato)tri-cobalt(II)disodium(I) bis-[triaqua-bis(4-chloro-pyridine-2,6-dicarboxyl-ato)cobalt(II)] hexa-hydrate.

Project description:The title compound, [Co(3)Na(2)(C(7)H(2)ClNO(4))(4)(H(2)O)(12)][Co(C(7)H(2)ClNO(4))(H(2)O)(3)](2)·6H(2)O, consists of a centrosymmetric dimer of [Co(II)(dipicCl)(2)](2-) complex dianions [dipicCl is 4-chloro-pyridine-2,6-dicarboxyl-ate] bridged by an [Na(2)Co(II)(H(2)O)(12)](4+) tetra-cationic cluster, two independent [Co(dipicCl)(H(2)O)(3)] complexes, and six water mol-ecules of crystallization. The metals are all six-coordinate with distorted octahedral geometries. The [Co(II)(dipicCl)(H(2)O)(3)] complexes are neutral, with one tridentate ligand and three water molecules. The [Co(II)(dipicCl)(2)](2-) complexes each have two tridentate ligands. The [Na(2)Co(II)(H(2)O)(12)](4+) cluster has a central Co(II) ion which is coordinated to six water molecules and lies on a crystallographic inversion center. Four of the water molecules bridge to two sodium ions, each of which have three other water molecules coordinated along with an O atom from the [Co(II)(dipicCl)(2)](2-) complex. In the crystal structure, the various units are linked by O-H?O hydrogen bonds, forming a three-dimensional network. Two water molecules are disordered equally over two positions.

| S-EPMC2915174 | biostudies-other

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