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1.
Acta Crystallogr C ; 69(Pt 1): 52-5, 2013 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-23282914

RESUMEN

The title complex, [Na(C(8)H(9)O(5)S)](n), is polymeric and consists of broad layers parallel to (100) made up of an inner hydrophilic core of Na(+) cations and polar SO(3)C(OH)- groups, padded on both sides by two hydrophobic layers of pendant methoxyphenyl groups. The Na(+) cations in the inner core are six-coordinated into highly distorted NaO(6) octahedra by four symmetry-related (hydroxy)(4-methoxyphenyl)methanesulfonate anions, leading to a tightly woven two-dimensional structure. While there are some hydrogen bonds providing interplanar cohesion, interactions between adjacent layers are weak hydrophobic ones. The present compound appears to be the first reported structure containing the (hydroxy)(4-methoxyphenyl)methanesulfonate ligand.

2.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 6): i30-i31, 2008 May 07.
Artículo en Inglés | MEDLINE | ID: mdl-21202433

RESUMEN

We present a new low-temperature refinement of disodium zinc bis-(sulfate) tetra-hydrate {systematic name: poly[tetra-µ-aqua-di-µ-sulfato-zinc(II)disodium(I)]}, [Na(2)Zn(SO(4))(2)(H(2)O)(4)](n) or Zn astrakanite, which is an upgrade of previously reported data [Bukin & Nozik (1974 ▶). Zh. Strukt. Khim.15, 712-716]. The compound is part of an isostructural family containing the Mg (the original astrakanite mineral), Co and Ni species. The very regular ZnO(aqua)(4)O(sulfate)(2) octa-hedra lie on centres of symmetry, while the rather distorted NaO(aqua)(2)O(sulfate)(4) octa-hedra appear at general positions, linked into a three-dimensional network by the bridging water mol-ecules and the fully coordinated sulfate groups.

3.
Acta Crystallogr C ; 63(Pt 4): m153-6, 2007 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-17413218

RESUMEN

catena-Poly[[[tetraaquanickel(II)]-mu-4,4'-bipyridine-kappa(2)N:N'] thiosulfate dihydrate], {[Ni(C(10)H(8)N(2))(H(2)O)(4)]S(2)O(3).2H(2)O}(n), (I), and catena-poly[[[tetraaquanickel(II)]-mu-4,4'-bipyridine-kappa(2)N:N'] sulfate methanol solvate monohydrate], {[Ni(C(10)H(8)N(2))(H(2)O)(4)]SO(4).CH(4)O.H(2)O}(n), (II), are built up of {[Ni(4,4'-bipy)(H(2)O)(4)](2+)}(n) chains (4,4'-bipy is 4,4'-bipyridine) interwoven in an unusual P3(1) fashion. Voids are filled by the corresponding counter-anions and solvate molecules, defining a complex three-dimensional network surrounding them. In both structures, the cationic chains evolve around a set of twofold axes passing through the Ni(II) ions and bisecting the aromatic amines through their N (and their opposite C) atoms.

4.
Acta Crystallogr C ; 63(Pt 4): m157-8, 2007 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-17413219

RESUMEN

The title compound, {[Zn(2)(SO(3))(2)(C(10)H(8)N(2))].H(2)O}(n), is a two-dimensional polymer built up of a [ZnSO(3)](n) chain evolving around a 2(1) axis and interconnected by a 4,4'-bipyridine spacer. The resulting two-dimensional structures are linked, in turn, by hydrogen bonding mediated by the solvent water molecule. The organic ligand lies on a centre of symmetry located on the mid-point of the bond between the rings, while the solvent water molecule is halved by a twofold axis passing through the O atom.

5.
Acta Crystallogr C ; 63(Pt 3): m123-5, 2007 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-17339707

RESUMEN

catena-Poly[[[tetraaquazinc(II)]-mu-4,4'-bipyridine-kappa(2)N:N'] [[mu-thiosulfato-kappa(2)O:S-bis[(thiosulfato-kappaS)zinc(II)]]-di-mu-4,4'-pyridine-kappa(4)N:N'] dihydrate], {[Zn(C(10)H(8)N(2))(H(2)O)(4)][Zn(2)(S(2)O(3))(3)(C(10)H(8)N(2))(2)].2H(2)O}(n), is a polymeric zinc complex built up from thiosulfate-containing anionic chains, where the Zn atom is tetrahedrally coordinated, and aqua-containing cationic chains incorporating octahedrally coordinated Zn. In each type of chain, the 4,4'-bipyridine units act as spacers, and the chains run along three non-intersecting almost orthogonal directions in space. The profusion of hydrogen-bond donors (all the H atoms of the water molecules) and acceptors (the thiosulfate O and S atoms) generates a very complex hydrogen-bonding scheme.

6.
Acta Crystallogr C ; 62(Pt 5): m192-4, 2006 May.
Artículo en Inglés | MEDLINE | ID: mdl-16679580

RESUMEN

The title compound, [Zn(S2O3)(C18H12N6)(H2O)].0.5H2O, contains two almost identical independent monomeric moieties composed of an octahedral Zn centre coordinated by a tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine (tpt) ligand, one aqua ligand and an O,S-chelating thiosulfate anion. The structure is stabilized by a solvent water molecule. Multiple strong hydrogen bonds with additional weaker pi-pi interactions between tpt groups define a multiple column spatial organization.

7.
Acta Crystallogr C ; 62(Pt 9): i79-82, 2006 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-16954610

RESUMEN

Orthorhombic Mn(SO3)(H2O)3 has been reinvestigated by single-crystal X-ray diffraction in two possible space groups, viz. P2(1)2(1)2(1) (with all atoms in general positions) and Pnma (with the molecule bisected by a mirror plane). The results confirm the lower symmetry assigned in a previous single-crystal neutron diffraction study. However, the refinement of the P2(1)2(1)2(1) model requires the introduction of racemic twinning and soft positional and displacement restraints for the H atoms. The importance of a scrupulous report on symmetry absence violations as standard policy in crystallographic work is discussed.

8.
Acta Crystallogr C ; 62(Pt 5): m195-8, 2006 May.
Artículo en Inglés | MEDLINE | ID: mdl-16679581

RESUMEN

The title compound, [Cd2(SO3)2(C18H12N6)2].8H2O, is a dimer built up around a symmetry center, where the sulfite anion displays a so far unreported coordination mode in metal-organic complexes; the anion binds as a mu2-sulfite-kappa4O,O':O',O'' ligand to two symmetry-related seven-coordinate Cd(II) cations, binding through its three O atoms by way of two chelate bites with an O atom in common, which acts as a bridge. The cation coordination is completed by a 2,4,6-tri-2-pyridyl-1,3,5-triazine ligand acting in its usual tridentate mode.

9.
Acta Crystallogr C ; 61(Pt 6): m289-91, 2005 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-15930668

RESUMEN

The title ionic zinc-acetate complex, [Zn(C2H3O2)(C12H12N2)2]2(S3O6).5H2O, contains a ZnN4O2 nucleus provided by the three bidentate ligands acting in a chelating mode. The trithionate unit, in turn, acts as an isolated charge-balancing counter-ion. The structure has a three-dimensional assembly achieved through three different interaction types, viz. Coulomb, hydrogen bonding and pi-pi. The trithionate group and one of the solvent water molecules are disordered around inversion centers.

10.
Acta Crystallogr C ; 61(Pt 5): m240-4, 2005 May.
Artículo en Inglés | MEDLINE | ID: mdl-15876709

RESUMEN

The crystal structures of two complexes containing the peroxodisulfate anion are reported, namely mu-peroxodisulfato-1kappaO:2kappaO'-bis[(acetato-kappa2O,O')aqua(2,2':6',2''-terpyridine-kappa3N,N',N'')cadmium(II)] heptahydrate, [Cd2(C2H3O2)2(S2O8)(C15H11N2)2(H2O)2].7H2O, (I), and catena-poly[[[bis(2,2'-bipyridine-kappa2N,N')mercury(II)]-mu-peroxodisulfato-kappa2O:O'] 0.4-hydrate], {[Hg(C10H8N2)2(S2O8)].0.4H2O}n, (II). In both structures, the anion behaves as a bridge, linking neighbouring coordination polyhedra in two different ways, either tightly bound to the heptacoordinated Cd2+ cation forming neatly separated dimeric entities in (I) or across a shorter O-S-O path producing weakly connected chains by way of 'semicoordination' to the Hg2+ cations in (II).

11.
Acta Crystallogr C ; 61(Pt 1): m30-3, 2005 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-15640571

RESUMEN

Two different zinc sulfite compounds have been prepared through the decomposition of pyrosulfite-dithionite ions in aqueous solution, viz. a dimeric complex, di-mu-sulfito-kappa3O,O':O'';kappa3O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine-kappa2N,N')zinc(II)] dihydrate, [Zn2(SO3)2(C12H12N2)2].2H2O, (I), which was solved and refined from a twinned sample, and an extended polymer, poly[[aqua(1,10-phenanthroline-kappa2N,N')zinc(II)]-mu3-sulfito-kappa2O:O':O''-zinc(II)-mu3-sulfito-kappa3O:O:O'], [Zn2(SO3)2)(C12H10N2)(H2O)]n, (II). In (I), the dinuclear Zn(II) complex has a center of symmetry. The cation is five-coordinate in a square-pyramidal arrangement, the anion fulfilling a bridging chelating role. Compound (II) comprises two different zinc units, one being five-coordinate (square pyramidal) and the other four-coordinate (trigonal pyramidal), and two independent sulfite groups with different binding modes to the cationic centers.

12.
Acta Crystallogr C ; 61(Pt 11): m494-6, 2005 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-16272591

RESUMEN

The title compound, [Cd(S(2)O(3))(C(16)H(16)N(2))(H(2)O)](n), presents a polymeric one-dimensional structure running along the P2(1)/c glide direction, with elementary units defined by six-coordinate Cd(II) atoms bonded to three symmetry-related thiosulfate groups, a bidentate tetramethylphenanthroline ligand and one aqua ligand. The bridging thiosulfates bind metal centers through two different sequences, viz. Cd-S-Cd' and Cd'-S'-S'-O'-Cd, defining a closed six-membered ring. Individual chains are held together via pi-pi interactions to generate two-dimensional networks parallel to the (100) plane. These, in turn, are connected by much weaker van der Waals interactions.

13.
Acta Crystallogr C ; 60(Pt 9): m451-3, 2004 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-15345832

RESUMEN

In the title complex of zinc(II) with 3,4,7,8-tetramethyl-1,10-phenanthroline (tmph), viz. [Zn(C16H16N2)(H2O)4](S2O3), the metal atom has a monomeric octahedral ZnN2O4 complex environment comprising two N-atom donors from the tmph group and four aqua O-atom donors. The complex cation is connected to four thiosulfate anions through a compact hydrogen-bonding network involving all coordinated aqua H-atom donors and all the outer acceptors (O and S) of the anion.


Asunto(s)
Nitrobencenos/química , Compuestos Organometálicos/química , Fenantrolinas/química , Zinc/química , Antiinflamatorios no Esteroideos/química , Cristalografía por Rayos X , Estructura Molecular
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