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Catena-Poly[[[diaqua-thulium(III)]-μ-6-carboxy-nicotinato-μ-pyridine-2,5-di-carboxyl-ato] dihydrate].

ABSTRACT: The title compound, {[Tm(C(7)H(3)NO(4))(C(7)H(4)NO(4))(H(2)O)(2)]·2H(2)O}(n), is isotypic with the analogous Tb(III) compound [Li et al. (2009 ▶). Acta Cryst. E65, m410]. All interatomic distances and angles and the hydrogen-bond geometries are very similar for the two structures. The refined Flack parameter of 0.49 (2) suggests inversion twinning.

SUBMITTER: Li S

PROVIDER: S-EPMC2968913 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[[diaqua-terbium(III)]-μ-6-carboxy-nicotinato-μ-pyridine-2,5-di-carboxyl-ato] dihydrate].

Project description:The title compound, {[Tb(C(7)H(3)NO(4))(C(7)H(4)NO(4))(H(2)O)(2)]·2H(2)O}(n), is isotypic with the analogous Tm(III) compound [Li, Zhang, Wang & Bai (2009). Acta Cryst. E65, m411]. The Tb(III) atom is octa-coordinated by two water mol-ecules and by four carboxyl-ate O atoms and two pyridyl N atoms from two pyridine-2,5-dicarboxyl-ate (2,5-pydc) and two 6-carboxy-nicotinate (2,5-Hpydc) ligands. The 2,5-pydc and 2,5-Hpydc ligands bridge Tb(III) atoms, generating helical coordination polymers along [001]. An extensive network of O-H⋯O hydrogen bonds is formed between the coordination polymers and the uncoordinated water mol-ecules. The refined Flack parameter of 0.54 (2) suggests inversion twinning.

| S-EPMC2968984 | biostudies-literature

catena-Poly[[[diaqua-iron(II)]-μ-pyrazine-2,3-dicarboxyl-ato] dihydrate].

Project description:The crystal structure of the title compound, {[Fe(C(6)H(2)N(2)O(4))(H(2)O)(2)]·2H(2)O}(n), was synthesized by a diffusion method. It has a one-dimensional polymeric chain structure and the chains are further connected into a three-dimensional structure by hydrogen bonds. The Fe(II) ion has a distorted octa-hedral coordination environment, with two N and two O atoms from the pyrazine-2,3-dicarboxyl-ate ligands in the equatorial plane and with two water mol-ecules in axial positions. The Fe atom lies on a crystallographic centre of symmetry and a twofold rotation axis passes through the pyrazine ring.

| S-EPMC2915058 | biostudies-literature

catena-Poly[[[diaqua-nickel(II)]-?-pyrazine-2-carboxyl-ato-silver(I)-?-pyrazine-2-carboxyl-ato] nitrate dihydrate].

Project description:In the polymeric complex of the title compound, {[AgNi(C(5)H(3)N(2)O(2))(2)(H(2)O)(2)]NO(3)·2H(2)O}(n), the Ag(I) ion displays an angular coordination geometry with two N atoms from pyrazine-2-carboxyl-ate ligands, and the Ni(II) ion is hexa-coordinated by two O atoms from two water mol-ecules, two O and two N atoms from pyrazine-2-carboxyl-ate ligands in a distorted octa-hedral geometry. In the crystal, the Ag(I) and Ni(II) ions lie on a mirror plane and an inversion centre, respectively. The complex chains, the nitrate ions and the uncoordinated water mol-ecules are linked together through O-H?O hydrogen bonds and weak Ag?O inter-actions [2.619?(17)-2.749?(17)?Å] into a three-dimensional network.

| S-EPMC3344408 | biostudies-literature

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

catena-Poly[[[diaqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato-[tetra-aqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato] tetra-hydrate].

Project description:In the crystal structure of the title compound, {[Fe(2)(C(7)H(3)NO(4))(2)(H(2)O)(6)]·4H(2)O}(n), there are two types of coordination for the Fe(II) atoms. One Fe(II) atom is in a distorted octa-hedral N(2)O(4) environment, with two chelating rings from the pyridine-dicarboxyl-ate ligands and two O atoms from the water mol-ecules, while the other is in a distorted octa-hedral O(6) environment with two O atoms from the pyridine-dicarboxyl-ate ligands and four O atoms from the water mol-ecules. Both Fe(II) atoms lie on crystallographic centers of symmetry. The complex possesses an infinite chain structure running along the [101] direction. These chains are inter-connected by the uncoordinated water mol-ecules through O-H⋯O hydrogen bonds.

| S-EPMC2960407 | biostudies-literature

Poly[[hexa-μ-aqua-diaqua-bis-(μ₄-dihydrogen benzene-1,2,4,5-tetra-carboxyl-ato)magnesiumdisodium] dihydrate].

Project description:The asymmetric unit of the title compound, {[MgNa₂(C₁₀H₄O₈)₂(H₂O)₈]·2H₂O}(n), contains one octa-hedrally coordin-ated Mg(II) atom (site symmetry 2/m), one octahedrally coordinated Na(I) atom (site symmetry 2) and one half of the dihydrogen benzene-1,2,4,5-tetra-carboxyl-ate (btec) ligand, the second half of the ligand being generated by a twofold rotation axis. The basic framework of the title compound features infinite (-Na-Na-Mg-)(n) chains along [10-1] with the metal cations bridged by the coordinating water molecules. The chains are isolated from each other by μ₄-bridging btec ligands, which form inter-molecular O-H⋯O hydrogen bonds to uncoordinated water mol-ecules and the coordinated water mol-ecules of a neighbouring chain. In each btec ligand, there are also intramolecular O-H⋯O hydrogen bonds.

| S-EPMC3393174 | biostudies-literature

catena-Poly[[diaquacobalt(II)]-bis(μ-3-carboxy-adamantane-1-carboxyl-ato-κO:O)].

Project description:In the title compound, [Co(C(12)H(15)O(4))(2)(H(2)O)(2)](n), adjacent Co(II) atoms ( symmetry) are bridged by 3-carboxy-adamantane-1-carboxyl-ate anions, forming a chain running along [001]. Inter-chain O-H⋯O hydrogen bonds link the chains into layers parallel to (100); the layers are further connected via inter-layer hydrogen bonds inter-actions, forming a three-dimensional framework.

| S-EPMC2968899 | biostudies-literature

catena-Poly[[diaqua-rubidium(I)](?(2)-3-carboxy-pyrazine-2-carboxyl-ato)(?(2)-pyrazine-2,3-dicarboxylic acid)].

Project description:The structural unit of the title compound, [Rb(C(6)H(3)N(2)O(4))(C(6)H(4)N(2)O(4))(H(2)O)(2)](n), consists of one rubidium cation, one hydrogen pyrazine-2,3-dicarboxyl-ate anion, one pyrazine-2,3-dicarboxylic acid mol-ecule and two water mol-ecules. This formulation is repeated twice in the asymmetric unit as the rubidium cation lies on an inversion centre. Each anion or acid mol-ecule is linked to two rubidium cations, while the rubidium cation has close contacts to four symmetry-equivalent organic ligands, with two different coordination modes towards this cation. In addition, each rubidium cation is coordinated by two water O atoms, raising the coordination number to eight. One of the carboxyl groups of the acid holds its H atom, which forms a hydrogen bond to a coordinated water mol-ecule. The other carboxyl group is deprotonated in half of the ligands and protonated in the other half, taking part in a strong O-H?O hydrogen bond disordered over an inversion centre. The stabil-ization of the crystal structure is further assisted by O-H?O and O-H?N hydrogen-bonding inter-actions involving the water mol-ecules and carboxyl-ate O atoms.

| S-EPMC2968173 | biostudies-literature

catena-Poly[[diaqua-strontium]-bis-(?-quinoline-3-carboxyl-ato)].

Project description:The title compound, [Sr(C(10)H(6)NO(2))(2)(H(2)O)(2)](n), contains an eight-coordinate Sr(II) ion displaying a distorted square-anti-prismatic geometry, two quinoline-3-carboxyl-ate ligands and two terminal water mol-ecules. The Sr(II) atom is surrounded by six carboxyl-ate O atoms from four separate quinoline-3-carboxyl-ate ligands and two O atoms from two coordinated water mol-ecules. The bridging carboxyl-ate O atoms [Sr-O = 2.498?(3) and 2.495?(3)?Å] link Sr(II) atoms, forming a chain substructure extending along the c axis. The chains are linked by O-H?N and O-H?O hydrogen bonds, giving a three-dimensional framework structure.

| S-EPMC3201418 | biostudies-literature

catena-Poly[[[bis-(3-amino-pyrazine-2-carboxyl-ato)triaqua-praseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato-[(3-amino-pyrazine-2-carboxyl-ato)diaqua-formatopraseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato] hexa-hydrate].

Project description:The asymmetric unit of the polymeric title compound, {[Pr(2)(C(5)H(4)N(3)O(2))(5)(CHO(2))(H(2)O)(5)]·6H(2)O}(n), has two independent Pr(III) atoms; one is coordinated by two water mol-ecules and the other by three water mol-ecules. The first is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions, whereas the second is chelated by two carboxyl-ate ions; both exist in a monocapped square-anti-prismatic geometry. The polymeric chains that run along the a axis inter-act with the lattice water mol-ecules, generating a three-dimensional hydrogen-bonded network. The formate ion is disordered over two positions with respect to the non-coordinated atoms in a 1:1 ratio.

| S-EPMC3200950 | biostudies-literature

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