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Crystal structure of catena-poly[[di-iodidomer-cury(II)]-μ-2,2'-di-thio-bis-(pyridine N-oxide)-κ2O:O'].

ABSTRACT: The title compound, [HgI2(C10H8N2O2S2)] n , a one-dimensional coordination polymer with HgI2 units and 2,2'-di-thio-bis-(pyridine N-oxide) spacer ligands in an alternating fashion, forms helical chains running along the b axis in the crystal. Within a single coordination polymer strand, the axially chiral 2,2'-di-thio-bis-(pyridine N-oxide) ligands are homochiral, but the enanti-omeric conformation is present in adjacent strands. Within a coordination polymer strand, the iodido ligands point towards the centroids of the aromatic rings of the pyridine N-oxide moieties in the coordination sphere of HgII. Moreover, intra-strand C-H⋯O and C-H⋯I inter-actions, and inter-strand short S⋯I and S⋯O contacts are observed.

SUBMITTER: Seidel RW

PROVIDER: S-EPMC5946961 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[aqua-sodium(I)]-μ-[2,2'-(disulfanedi-yl)bis-(pyridine N-oxide)]-μ-(pyridine-2-thiol-ato 1-oxide)].

Project description:There are two monomeric units in the asymmetric unit of the polymeric title compound, [Na(C(5)H(4)NOS)(C(10)H(8)N(2)O(2)S(2))(H(2)O)](n). The Na(I) ions are six coordinated by four O atoms, one S atom and one water mol-ecule, forming a slightly distorted octa-hedral geometry. An intra-molecular O-H⋯O hydrogen bond stabilizes the conformation of the mol-ecule. The crystal packing is consolidated by inter-molecular O-H⋯O, O-H⋯N and O-H⋯S hydrogen bonds, π-π inter-actions [with centroid-centroid distances of 3.587 (2) Å] together with weak C-H⋯π inter-actions. The mol-ecules are linked into polymeric chains along the b-axis direction.

| S-EPMC2979839 | biostudies-literature

catena-Poly[[bis-(pyridine-κN)cadmium]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(5)H(5)N)(2)](n), consists of two crystallographically independent Cd(II) cations, four thio-cyanato anions and four pyridine ligands. The Cd(II) atoms are each coordinated by four N atoms from two pyridine ligands and two thio-cyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio-cyanato anions within a slightly distorted octa-hedral coordination environment. The Cd(II) atoms are μ-1,3-bridged via the thio-cyanato anions into polymeric chains parallel to [001]. The Cd(II)⋯Cd(II) intra-chain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest Cd(II)⋯Cd(II) inter-chain separations are 7.8272 (7) and 8.6312 (6) Å.

| S-EPMC3099960 | biostudies-literature

catena-Poly[[bis-(3-benzoyl-pyridine-κN)zinc(II)]-di-μ-dicyanamido-κN:N].

Project description:The title compound, [Zn(C(2)N(3))(2)(C(12)H(9)NO)(2)](n), is a polymeric zinc(II) complex with the metal ion located on an inversion centre. The Zn(II) ion is six-coordinated by two N atoms of two 3-benzoyl-pyridine ligands and four N atoms from four dicyanamide ligands, forming a slightly distorted octa-hedral configuration. In the crystal structure, neighboring Zn atoms are linked together by double dicyanamide bridges to form a polymeric zinc(II) complex.

| S-EPMC2961919 | biostudies-literature

Crystal structure of catena-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κO)cobalt(II)]-μ-aqua-κ2O:O] dihydrate].

Project description:The asymmetric unit of the title one-dimensional polymeric compound, {[Co(C10H11O2)2(H2O)3]·2H2O} n , contains one CoII cation situated on a centre of inversion, one-half of a coordinating water mol-ecule, one 2,4,6-tri-methyl-benzoate (TMB) anion together with one coordinating and one non-coordinating water mol-ecule; the TMB anion acts as a monodentate ligand. In the anion, the carboxyl-ate group is twisted away from the attached benzene ring by 84.9 (2)°. The CoII atom is coordinated by two TMB anions and two water mol-ecules in the basal plane, while another water mol-ecule bridges the CoII atoms in the axial directions, forming polymeric chains running along [001]. The coordination environment for the CoII cation is a slightly distorted octa-hedron. The coordinating and bridging water mol-ecules link to the carboxyl-ate groups via intra- and inter-molecular O-H⋯O hydrogen bonds, enclosing S(6) ring motifs, while the coordinating, bridging and non-coordinating water mol-ecules link to the carboxyl-ate groups and the coordinating water mol-ecules link to the non-coordinating water mol-ecules via O-H⋯O hydrogen bonds, enclosing R22(8) and R33(8) ring motifs. Weak C-H⋯O and C-H⋯π inter-actions may further stabilize the crystal structure.

| S-EPMC5418789 | biostudies-literature

catena-Poly[[bis-(pyridine-?N)nickel(II)]-di-?-thio-cyanato-?(2) N:S;?(2) S:N].

Project description:In the title compound, [Ni(NCS)2(C5H5N)2] n , the Ni(2+) cation is coordinated by four thio-cyanate anions (?-1,3) and two pyridine ligands within a slightly distorted octa-hedral configuration. The Ni-N bond lengths to the pyridine rings are 2.1189?(17) and 2.1241?(17)?Å, whereas those to the thiocyanate anions are 2.0299?(18) and 2.0359?Å. The Ni-S bond lengths are 2.5357?(6) and 2.5568?(6)?Å. The Ni(2+) cations are linked by N:S-bridging thio-cyanate ligands into chains extending along [010]. The Ni?Ni distance within the chains is 5.5820?(5)?Å. The asymmetric unit contains two Ni(2+) cations of which one is located on a centre of inversion, whereas the second is located on a general position.

| S-EPMC4051106 | biostudies-literature

catena-Poly[{di-μ-isonicotinato-bis[di-aqua-isonicotinatoeuropium(III)]}-μ-isonicotinato-[diisonicotinatocopper(II)]-μ-isonicotinato].

Project description:The title compound, [CuEu(2)(C(6)H(4)NO(2))(8)(H(2)O)(4)](n), displays a one-dimensional chain structure. The four-coordinate Cu(II) ion (site symmetry ) adopts a trans-CuN(2)O(2) geometry and is bridged by two carboxyl-ate groups from two isonicotinate ligands. The Eu(III) ion adopts a distorted square-anti-prismatic geometry, being coordinated by four O atoms from bridging carboxyl-ate groups of four isonicotinate ligands, two O atoms from chelating carboxyl-ate groups of one isonicotinate ligand and two O atoms from coordinated water mol-ecules; adjacent Eu(III) ions in the chain are related by inversion. The water mol-ecules interact with the ligands via O-H⋯N hydrogen bonds [O⋯O = 2.782 (3)-2.881 (3) Å], which link the chains into a three-dimensional structure.

| S-EPMC2959990 | biostudies-literature

catena-Poly[(E)-4,4'-(ethane-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-κN)ferrate(II)]-di-μ-thio-cyanato-κN:S;κS:N]].

Project description:In the crystal structure of the title compound, {(C(12)H(14)N(2))[Fe(NCS)(4)]}(n), the iron(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in a distorted octa-hedral coordination mode. The asymmetric unit consists of half an iron(II) cation and half a protonated (E)-4,4'-(ethane-1,2-di-yl)dipyridinium dication, each located on a centre of inversion. In addition, there are two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains in which each iron(II) cation is additionally coordinated by two terminal N-bonded thio-cyanate anions. Non-coordinating dipyridinium dications are present between the thiocyanatoferrate(II) chains and are connected to the anions via N-H⋯N and N-H⋯S hydrogen-bond interactions.

| S-EPMC3246934 | biostudies-literature

Crystal structure of catena-poly[[[bis-(pyridine-4-carbo-thio-amide-κN (1))cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N] methanol disolvate].

Project description:The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH} n , consists of one cadmium(II) cation that is located on a centre of inversion as well as one thio-cyanate anion, one pyridine-4-carbo-thio-amide ligand and one methanol mol-ecule in general positions. The Cd(II) cations are octa-hedrally coordinated by the pyridine N atom of two pyridine-4-carbo-thio-amide ligands and by the S and N atoms of four thio-cyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by inter-molecular N-H⋯O and O-H⋯S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbo-thio-amide ligand is hydrogen-bonded to the O atom of a methanol mol-ecule, and a symmetry-related methanol mol-ecule is the donor group to the S atom of another pyridine-4-carbo-thio-amide ligand whereby each of the pyridine-4-carbo-thio-amide ligands forms two pairs of centrosymmetric N-H⋯S and O-H⋯S hydrogen bonds. The methanol mol-ecules are equally disordered over two orientations.

| S-EPMC4778826 | biostudies-literature

catena-Poly[[bis-(μ-3-carboxy-benzoato)bis-(1,10-phenanthroline)tricopper(II)]-di-μ(3)-isophthalato].

Project description:The title copper coordination polymer, [Cu(3)(C(8)H(4)O(4))(2)(C(8)H(5)O(4))(2)(C(10)H(8)N(2))(2)](n), was synthesized by reacting Cu(NO(3))(2), isophthalic acid and 1,10-phenanthroline under hydro-thermal conditions. The trinuclear unit presents a central almost planar CuO(4) chromophore with the cation on a symmetry center, and two symmetry-related CuN(2)O(3) groups with the metal centre in a distorted square-pyramidal environment. These units are bridged by isophthalate ligands into one-dimensional double-chain coordination polymers which are, in turn, connected by various π-π stacking inter-actions (face-to-face distance ca 3.45 Å) and O-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2959876 | biostudies-literature

catena-Poly[[[bis-[aqua-nickel(II)]bis-(?-pyridine-2,6-dicarboxyl-ato N-oxide)]-?-1,2-di-4-pyridylethane] tetra-hydrate].

Project description:In the title compound, {[Ni(2)(C(7)H(3)NO(5))(2)(C(12)H(12)N(2))(H(2)O)(2)]·4H(2)O}(n), two Ni(II) ions, two tridentate pyridine-2,6-dicarboxyl-ate N-oxide ligands and two coordinated water mol-ecules form centrosymmetric dinuclear units, which are further bridged by centrosymmetric 1,2-di-4-pyridylethane ligands into polymeric chains along [210]. Each Ni(II) ion has a distorted square-pyramidal environment, with the basal plane formed by three O [Ni-O = 1.9290?(16)-1.9588?(10)?Å] and one N [Ni-N = 1.9828?(18)?Å] atoms and the apical position occupied by the water mol-ecule [Ni-O = 2.2643?(11)?Å]. The water mol-ecules are involved in the formation of O-H?O hydrogen bonds.

| S-EPMC2959744 | biostudies-literature

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