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Poly[hemi(hexa-aqua-zinc) [[μ(2)-1,3-bis-(1,2,4-triazol-1-yl)methane](μ(2)-5-sulfonato-benzene-1,3-dicarboxyl-ato)zinc] sesquihydrate].

ABSTRACT: The title coordination polymer, {[Zn(H(2)O)(6)](0.5)[Zn(C(8)H(3)O(7)S)(C(5)H(6)N(6))]·1.5H(2)O}(n), synthesized under hydro-thermal conditions, possesses a one-dimensional tube-like chain structure along [100], with octahedral [Zn(H(2)O)(6)](2+) groups ([Formula: see text] symmetry) trapped in the pores. The other Zn atom is five-coordinated in a highly distorted trigonal-biyramidal coordin-ation that is defined by two different N atoms from two 1,3-bis-(1,2,4-triazol-1-yl)methane (btrm) ligands and three carboxyl-ate O atoms from 5-sulfonato-benzene-1,3-dicarboxyl-ate ligands. The chains carry negative charges, whereas the free [Zn(H(2)O)(6)](2+) cations are positively charged. The [Zn(H(2)O)(6)](2+) cation is connected with the one-dimensional tubelike chain through weak classical O-H⋯O and O-H⋯N hydrogen-bonding inter-actions as well as through electrostatic inter-actions. One of the two uncoordinated water molecules exhibits half-occupancy.

SUBMITTER: Liu SY

PROVIDER: S-EPMC3151986 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Poly[tetra-aqua-bis-(?(3)-benzene-1,3-di-carboxyl-ato-?O:O':O'')bis-(?(2)-benzene-1,3-dicarboxyl-ato-?O,O':O'')[?(2)-1,4-bis-(1,2,4-triazol-1-yl)butane-?N:N']tetra-zinc(II)].

Project description:In the crystal structure of the title compound, [Zn(4)(C(8)H(4)O(4))(4)(C(8)H(12)N(6))(H(2)O)(4)](n), one Zn(II) atom is four-coordinated in a slightly distorted tetra-hedral geometry by two O atoms from benzene-1,3-dicarboxyl-ate (BDC) ligands, one N atom from a 1,4-bis-(1,2,4-triazol-1-yl)butane (BTB) ligand and one water mol-ecule, while a second Zn(II) atom is five-coordinated in a distorted square-pyramidal geometry bridged by four O atoms from BDC ligands and one water mol-ecule. The Zn(II) atoms are connected by the benzene-1,3-dicarboxyl-ate anions and the nitro-gen ligand into layers parallel to the ac plane. The asymmetric unit consits of two crystallographically independent Zn(II) cations, two BDC anions and two water mol-ecules in general positions, as well as one-half of the BTB ligand that is completed by inversion symmetry.

| S-EPMC3050338 | 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-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.

| S-EPMC2960531 | 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[[[aqua-(1,10-phenanthro-line)manganese(II)]-μ-adamantane-1,3-dicarboxyl-ato] monohydrate].

Project description:In the title coordination polymer, {[Mn(C(12)H(14)O(4))(C(12)H(8)N(2))(H(2)O)]·H(2)O}(n), the Mn(II) atom has a highly distorted cis-MnN(2)O(4) octa-hedral geometry arising from its coordination by a bidentate phenanthroline ligand, a water mol-ecule and monodentate and bidentate adamantane-1,3-dicarboxyl-ate dianions. The bridging dianion leads to [001] chains in the crystal. The chains are linked by O-H⋯O hydrogen bonds, involving both the coordinated and uncoordinated water mol-ecules, thereby forming a two-dimensional network.

| S-EPMC3246965 | biostudies-literature

Poly[propane-1,3-diammonium [cuprate(II)-bis-(μ(2)-pyridine-2,3-dicarboxyl-ato)] trihydrate].

Project description:The title polymeric compound {(C(3)H(12)N(2))[Cu(C(7)H(3)NO(4))(2)]·3H(2)O}(n) or {(pnH(2))[Cu(py-2,3-dc)(2)]·3H(2)O}(n) (pn is propane-1,3-diamine and py-2,3-dcH(2) is pyridine-2,3-dicarboxylic acid), was synthesized by reaction of copper(II) chloride dihydrate with a proton-transfer compound, propane-1,3-diammonium pyridine-2,3-dicarboxyl-ate or (pnH(2))(py-2,3-dc), in aqueous solution. The anion is a six-coordinate complex (site symmetry ), with a distorted octa-hedral geometry around Cu(II), consisting of two bidentate pyridine-2,3-dicarboxyl-ate groups and two O atoms of bridging ligands from (py-2,3-dc)(2-) fragments, which are located in trans positions. The (pnH(2))(2+) cation is disordered over two sites by the center of inversion. Inter-molecular hydrogen bonds, π-π [centroid-centroid distances of 3.539 (3) Å] and C-O⋯π stacking inter-actions [O⋯Cg = 3.240 (5) Å; Cg is the center of the pyridine ring], connect the various components into a supra-molecular structure.

| S-EPMC2960456 | biostudies-literature

Poly[octa-μ-aqua-tetra-aqua-bis(μ(4)-5-sulfonatobenzene-1,3-dicarboxyl-ato)nickel(II)tetra-sodium].

Project description:In the crystal structure of the title compound, [Na(4)Ni(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), the Ni(II) cation occupies an inversion centre and is coordinated by the carboxyl groups of the sulfoisophthalate trianions and water mol-ecules in a distorted octa-hedral geometry. Two independent Na(I) atoms are connected by the carboxyl and sulfonate groups of the sulfoisophthalate ligands anions and water mol-ecules in a distorted octa-hedral geometry. The sulfoisophthalate ligands and coordinated water mol-ecules bridge the Ni(II) and Na(I) cations, forming a three-dimensional polymeric structure. Weak π-π stacking is present between parallel benzene rings [centroid-centroid distance = 3.9349 (10) Å]. Extensive O-H⋯O and C-H⋯O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2969070 | biostudies-literature

Bis(μ-naphthalene-1,8-dicarboxyl-ato)bis-[aqua-(2,2'-bipyridine)zinc(II)] tetra-hydrate.

Project description:The title complex, [Zn(2)(C(12)H(6)O(4))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)]·4H(2)O, is a binuclear complex with two independent Zn(II) ions in a slightly disorted trigonal bipyramidal environment, coordinated by one aqua ligand, two naphthalene-1,8-dicarboxyl-ate ligands and one 2,2'-bipyridine ligand. π-π Inter-actions [centroid-centroid distance of 3.8489 (5) Å] and O-H⋯O hydrogen bonds connect the mol-ecules, forming a three-dimensional structure.

| S-EPMC2959877 | 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

Poly[[tetra-aqua-bis-(μ(3)-pyridine-2,6-dicarboxyl-ato)(μ(2)-pyridine-2,6-dicarboxyl-ato)dilanthanum(III)] dihydrate].

Project description:There are two independent La(III) cations in the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(3)(H(2)O)(4)]·2H(2)O}(n). One is nine-coordinated in an LaN(2)O(7) tricapped trigonal-prismatic geometry formed by three pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules, while the other is ten-coordinated in an LaNO(9) bicapped square-anti-prismatic geometry formed by four pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules. The two La(III) cations are separated by a non-bonding distance of 5.026 (3) Å. The pyridine-2,6-dicarboxyl-ate anions bridge the La(III) cations, forming a three-dimensional polymeric complex. The crystal structure contains extensive classical O-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further consolidated by π-π stacking between pyridine rings, the shortest centroid-centroid distance between parallel pyridine rings being 3.700 (5) Å.

| S-EPMC3200968 | biostudies-literature

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