Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[bis(1,3-benzo-thia-zol-3-ium) [[di-chlorido-anti-monate(III)]-di-μ-chlorido-μ-oxido-[chlorido-anti-monate(III)]-μ-chlorido]].

ABSTRACT: The title compound, {(C7H6NS)2[Sb2Cl6O]} n , contains two benzo-thia-zolidium cations and one tri-μ-chlorido-tri-chlorido-μ-oxido-di-anti-monate(III) anion. The structure of the inorganic cation may be described as as being built up from two polyhedra, i.e. a square-pyramidal SbCl4O and a distorted octa-hedral SbOCl5 unit, sharing a common face (comprising the O atom and two Cl atoms). The two benzo-thia-zole cations are quasi-planar and subtend a dihedral angle of 19.93 (5)°. The crystal packing can be described by alternating (100) layers and [001] chains of the organic cations and inorganic anions connected through an extensive three-dimensional network of N-H⋯Cl, C-H⋯O and C-H⋯Cl hydrogen bonds. This is consolidated by slipped π-π stacking, with centroid-to-centroid distances between the benzo-thia-zole rings of 3.7111 (18)-3.8452 (16) Å. These inter-actions link the mol-ecules within the layers and also link the layers together and reinforce the cohesion of the ionic structure.

SUBMITTER: Chebout O

PROVIDER: S-EPMC4770971 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(2-methyl-piperidinium) penta-chlorido-anti-monate(III).

Project description:The asymmetric unit of the title compound, (C(6)H(14)N)(2)[SbCl(5)], contains one cation and half of the anion on a special position (specifically, the Sb(III) ion and three chloride anions are situated on a mirror plane). In the [SbCl(5)](2-) unit, the Sb(III) ion is coordinated by five chloride anions [Sb-Cl = 2.3721?(11)-2.6656?(12)?Å] in a distorted square-pyramidal geometry. However, one chloride anion from a neighbouring [SbCl(5)](2-) unit provides a short Sb?Cl contact of 3.3600?(12)?Å and completes the Sb coordination environment up to an elongated octa-hedron. In the crystal, N-H?Cl hydrogen bonds link cations and anions into columns propagating along [100].

| S-EPMC3344392 | biostudies-literature

Di-chlorido-(5,10,15,20-tetra-phenyl-porphyrinato-?(4) N)anti-mony(V) hexa-chlorido-anti-monate(V).

Project description:The asymmetric unit of the title compound, [Sb(C44H28N4)Cl2][SbCl6], consists of one half of an anti-mony(V) tetra-phenyl-porphyrin complex cation and one half of an hexa-chlorido-anti-monate(V) anion. In the complex cation, the Sb(V) atom lies on an inversion center and is octa-hedrally coordinated by four N atoms from a macrocyclic tetra-phenyl-porphyrinate ligand and two chloride ions. The complex cation has approximately a planar core with a maximum deviation of 0.018?(5)?Å from the porphyrin mean plane. The average Sb-N distance is 2.062?(11)?Å, while the Sb-Cl distance is 2.355?(1)?Å. The Sb(V) atom of the anion is also located on an inversion center. The [SbCl6](-) octa-hedron exhibits rhombic distortion characterized by the Sb-Cl bond lengths [2.311?(3), 2.374?(2) and 2.393?(4)?Å]. In the crystal, the cations and anions are linked C-H? Cl hydrogen bonds, forming a layer parallel to (211).

| S-EPMC4120531 | biostudies-literature

Tris(3-methyl-anilinium) penta-chlorido-anti-monate(III) chloride.

Project description:In the title compound, (C(7)H(10)N)(3)[SbCl(5)]Cl, the Sb(III) cation is coordinated by five Cl(-) anions in a distorted square-pyramidal geometry, in which the longest Sb-Cl distance of 3.0319?(14)?Å indicates a weak coordination bond. In the crystal, the 3-methyl-anilinium cations link with the complex antimonate anions and Cl(-) anions via N-H?Cl hydrogen bonds.

| S-EPMC3238716 | biostudies-literature

Bis(2-amino-4-phenyl-1,3-thia-zol-3-ium) tetra-chlorido-palladate(II).

Project description:The title compound, (C9H9N2S)2[PdCl4], consists of two monoprotonated 2-amino-4-phenyl-1,3-thia-zole molecules and one tetra-chlorido-palladate anion. The organic molecules exhibit a dihedral angle between the main rings planes of 31.82?(9)°. In the anion, the Pd(II) atom is located on a crystallographic centre of symmetry with a square-planar geometry. In the crystal, the anions and cations are connected through bifurcated N-H?Cl hydrogen bonds, and these inter-actions lead to hydrogen-bonded tapes of cations and anions along [100].

| S-EPMC4158524 | biostudies-literature

Bis(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-?-chlorido-bis-[tetra-chlorido-anti-monate(III)] dihydrate.

Project description:The title salt, (C6H14N2)2[Sb2Cl10]·2H2O, was obtained by slow evaporation of an acidic solution of 1,4-di-aza-bicyclo-[2.2.2]octane and SbCl3. The crystal structure consists of (C6H14N2)(2+) cations, [Sb2Cl10](4-) double octa-hedra and lattice water mol-ecules. All mol-ecular components are situated on special positions. The cation and the lattice water mol-ecule exhibit mirror symmetry, whereas the anion has site symmetry 2/m. The cations, anions and water mol-ecules are alternately arranged into columns along [010]. Individual columns are joined into layers extending along (001). Intra-layer N-H?O and inter-layer N-H?Cl hydrogen-bonding inter-actions lead to the formation of a three-dimensional network.

| S-EPMC3684890 | biostudies-other

Bis(4,4'-bipyridinium) di-μ-hydroxido-bis-[dihydroxido(pyridine-2,6-dicarboxyl-ato)anti-monate(III,V)] octa-hydrate.

Project description:The reaction of anti-mony(III) chloride, 4,4'-bipyridine (4,4'-bipy) and pyridine-2,6-dicarboxylic acid (pydcH(2)), in a 1:2:2 molar ratio in an aqueous solution, resulted in the formation of the title centrosymmetric disordered mixed-valence Sb(III)/Sb(V) compound, (C(10)H(9)N(2))(2)[Sb(2)(C(7)H(3)NO(4))(2)(OH)(6)]·8H(2)O or (4,4'-bipyH)(2)[Sb(pydc)(OH)(2)(μ-OH)](2)·8H(2)O. The seven donor atoms of the (pydc)(2-) groups and the hydroxido ligands form a distorted penta-gonal-bipyramidal arrangement around the Sb(III)/Sb(V) centers. C-H⋯π stacking inter-actions between CH groups of the complex dianion and the aromatic rings of the (4,4'-bipyH)(+) cations, with a distance of 2.89 Å, are observed. In the crystal structure, a wide range of noncovalent inter-actions, consisting of O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds [D⋯A ranging from 2.722 (2) to 3.137 (3) Å], ion pairing, π-π stacking [centroid-centroid distance of 3.4363 (13) Å] and C-H⋯π inter-actions, connect the various components into a supra-molecular structure.

| S-EPMC2960308 | biostudies-literature

Triethyl-ammonium bis-(2-oxido-2,2-diphenyl-acetato-?O,O)anti-monate(III).

Project description:The coordination around the Sb atom in the title compound, (C(6)H(16)N)[Sb(C(14)H(10)O(3))(2)], is fourfold in a pseudo-trigonal-bipyramidal pattern in which one of the equatorial sites is occupied by the stereoactive lone pair of electrons. The four ligating atoms comprise the hydoxylate and carboxyl-ate O atoms from two independent benzilate ligands, each of which forms a five-membered chelating ring, spanning an axial and an equatorial site about the Sb atom. The hydroxy-late atoms occupy the two equatorial sites, and the carboxyl-ate atoms are in the pseudo-axial sites; the O-Sb-O angle is 147.72?(5)°. One carboxyl-ate group shows quite different bond lengths from those of the other group; one O atom is clearly the carbonyl atom and the other O atom the hydroxy-late atom. In the other ligand, there is less distinction in the C-O bonds. This is presumably related to the carbonyl O atom being the acceptor atom of a strong N-H?O hydrogen bond, which links the ammonium cation to the Sb complex anion.

| S-EPMC2979724 | biostudies-literature

μ-Oxido-bis-{chlorido[tris-(2-pyridylmeth-yl)amine]chromium(III)} bis(hexafluoridophosphate).

Project description:The title compound, [Cr(2)Cl(2)O(C(18)H(18)N(4))(2)](PF(6))(2), is isostructural with the V(III) analogue. Each Cr(III) atom is chelated by the tetra-dentate tris-(2-pyridylmeth-yl)amine ligand via four N atoms, and further coordinated by one Cl atom and one bridging O atom, giving a slightly distorted octa-hedral coordination geometry. The dinuclear complex is centrosymmetric, with the bridging O atom lying on a centre of inversion.

| S-EPMC2914886 | biostudies-literature

catena-Poly[2-methyl-1H-imidazol-3-ium [(aqua-chloridocadmate)-di-μ-chlorido]].

Project description:The asymmetric unit of the title compound, {(C(4)H(7)N(2))[CdCl(3)(H(2)O)]}(n), contains one 1-methyl-1H-imidazol-3-ium cation, one Cd(II) atom, three Cl atoms and one water mol-ecule. Adjacent Cd ions are inter-connected alternately by paired Cl(-) bridges to generate an infinite one-dimensional coordination chain along the b axis. In the chain, the crystallographically unique Cd(II) atom, with a distorted octa-hedral geometry, is coordinated by five Cl(-) ions and one water mol-ecule. Intra-chain O-H⋯Cl hydrogen bonding and N-H⋯Cl hydrogen bonding between the cations and the anionic chains consolidate the crystal packing.

| S-EPMC3246997 | biostudies-literature

Dichlorido(5,10,15,20-tetra-phenyl-porphyrinato-?(4)N)anti-mony(V) hemi{di-?-chlorido-bis-[trichloridoanti-monate(III)]} dichloro-methane monosolvate.

Project description:The asymmetric unit of the title complex, [Sb(C(44)H(28)N(4))Cl(2)][Sb(2)Cl(8)](0.5)·CH(2)Cl(2), is composed of a Sb(V) complex cation wherein the Sb atom is hexa-coordinated by four N atoms of the pyrrole rings of the tetra-phenyl-porphyrinate (TPP) ligands and two chloride ions, a half di-?-chlorido-bis-[trichloridoanti-monate(III)] counter-anion and a dichloro-methane solvent mol-ecule. In the cation, the average Sb-N distance is 2.066?(2)?Å, while the Sb-Cl distances are 2.3410?(11) and 2.3639?(12)?Å. The central unit of the cation, SbN(4)C(20), is far from being planar, with deviations of atoms from the least-squares plane ranging from -0.110?(4) to 0.124?(4)?Å. The Sb-Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715?(13)-2.7489?(13)?Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by inter-molecular C-H?Cl inter-actions involving the cations, the anions and the solvent mol-ecules. The solvent mol-ecule is disordered over two orientations in a 0.901?(13):0.099?(13) ratio.

| S-EPMC3379064 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data