Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(4-Amino-3-methyl-benzene-sulfonato)tri-?-aqua-penta-aqua-disodium 4-amino-3-methyl-benzene-sulfonate.

ABSTRACT: In the title compound, [Na(2)(C(7)H(8)NO(3)S)(H(2)O)(8)](C(7)H(8)NO(3)S), one Na(+) ion is bonded to six water mol-ecules in a distorted octa-hedral arrangement while the other is bonded to five water mol-ecules and one O atom of a 4-amino-3-methyl-benzene-sulfonate anion, also yielding a distorted NaO(6) octa-hedron. Three of the water molecules bridge the metal ions and an intra-molecular O-H?O hydrogen bond helps to establish the conformation. In the crystal, the component species inter-act by way of O-H?O, O-H?N and N-H?O hydrogen bonds.

SUBMITTER: Tai XS

PROVIDER: S-EPMC2979835 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(4-Amino-3-methyl-benzene-sulfonato)tri-μ-aqua-penta-aqua-disodium 4-amino-3-methyl-benzene-sulfonate.

Tai Xi-Shi XS Zhang Fu-Gong FG

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

In the title compound, [Na(2)(C(7)H(8)NO(3)S)(H(2)O)(8)](C(7)H(8)NO(3)S), one Na(+) ion is bonded to six water mol-ecules in a distorted octa-hedral arrangement while the other is bonded to five water mol-ecules and one O atom of a 4-amino-3-methyl-benzene-sulfonate anion, also yielding a distorted NaO(6) octa-hedron. Three of the water molecules bridge the metal ions and an intra-molecular O-H⋯O hydrogen bond helps to establish the conformation. In the crystal, the component species inter-act b ...[more]

PMID: 21579611

Similar Datasets

Penta-aqua-bis[4-(2-hydroxy-benzyl-idene-amino)benzene-sulfonato]lead(II).

Project description:In the structure of the title compound, [Pb(C(13)H(10)NO(4)S)(2)(H(2)O)(5)], two S-O bonds and one C-N bond have lengths of 1.421?(9), 1.425?(8) and 1.268?(11)?Å, respectively, which suggests they are double bonds. Mol-ecules form a two-dimensional layered structure via O-H?O and O-H?N inter-actions. The Pb atom adopts distorted cubo-octahedral coordination.

| S-EPMC2968621 | biostudies-literature

Aqua-(3-methyl-isoquinoline-κN)silver(I) 4-amino-benzene-sulfonate.

Project description:In the title compound, [Ag(C(10)H(9)N)(H(2)O)](C(6)H(6)NO(3)S), the Ag(I) atom is two-coordinated by one N atom from a 3-methyl-isoquinoline ligand and one water mol-ecule. The 4-amino-benzene-sulfonate counter-anion does not show any bonding inter-actions with the Ag(I) atom. The compound exhibits a three-dimensional supra-molecular structure constructed by hydrogen bonds. Adjacent isoquinoline groups form π-π inter-actions, with a centroid-centroid distance of 3.54 (1) Å. The crystal studied was an inversion twin.

| S-EPMC2915149 | biostudies-literature

Aqua-bis-(4-methyl-benzene-sulfonato-?O)(?(5)-penta-methyl-cyclo-penta-dien-yl)rhodium(III) monohydrate.

Project description:The title half-sandwich rhodium(III) complex, [Rh(C10H15)(C7H7O3S)2(H2O)]·H2O, consists of a ?-bonded penta-methyl-cyclo-penta-dienyl group, two ?-bonded tosyl-ate groups and an aqua ligand. The structure displays both inter- and intra-molecular O-H?O hydrogen bonding. The inter-molecular hydrogen bonding results in an extended helical chain along a 21 screw axis parallel to c, due to hydrogen bonding from the coordinating water ligand to the lattice water mol-ecule and then to a sulfonate O atom of a different asymmetric unit.

| S-EPMC3647804 | biostudies-other

Poly[tris{μ(2)-4-[4-(di-methyl-amino)-phenyl-diazenyl]benzene-sulfonato}tri-dioxane-tri-sodium(I)].

Project description:The title compound, [Na(3)(C(14)H(14)N(3)O(3)S)(3)(C(4)H(8)O(2))(3)](n), is a polynuclear complex which includes, in the monomeric unit, three units of Na(I)-4'-dimethyl-amino-azobenzene-4-sulfonate [known as methyl orange (MO)] and three molecules of dioxane (C(4)H(8)O(2)). These constitute three kinds of Na(I) centres, two of which are seven-coordinate while the third is five-coordinate. One of the seven-coordinate centres is coordinated by six O atoms from the sulfonate groups of four different MOs and by one O atom from dioxane. The other is coordinated by seven O atoms from the sulfonate groups of five different MOs. The five-coordinate centre is coordinated by three O atoms from the sulfonate groups of three different MOs and two O atoms from two different dioxanes. In the crystal structure, a one-dimensional polymer chain is formed along the a axis and this ensures the thermal stability of the title compound. It is also to be noted that the N=N bond lengths of the three azo groups are appreciably different [1.259 (4), 1.196 (4), and 1.253 (4) Å].

| S-EPMC2961004 | biostudies-literature

(4-Amino-benzene-sulfonato)-hepta-aqua-gadolinium(III) 4-amino-benzene-sulfonate nitrate 4,4'-bipyridyl tetra-solvate dihydrate.

Project description:In the title compound, [Gd(C(6)H(6)O(3)S)(H(2)O)(7)](C(6)H(6)O(3)S)(NO(3))·4C(10)H(8)N(2)·2H(2)O, the Gd(III) ion is octa-coordinated by seven water mol-ecules and one O-bonded 4-amino-benzene-sulfonate anion in a square-anti-prismatic arrangement. In the crystal, the components are linked by N-H?O, O-H?N and O-H?O hydrogen bonds.

| S-EPMC3006889 | biostudies-other

2-Amino-6-methyl-pyridinium 4-methyl-benzene-sulfonate.

Project description:In the asymmetric unit of the title salt, C6H9N2 (+)·C7H7O3S(-), there are two independent 2-amino-6-methyl-pyridinium cations and two independent 4-methyl-benzene-sulfonate anions. Both cations are protonated at their pyridine N atoms and their geometries reveal amine-imine tautomerism. In the 4-methyl-benzene-sulfonate anions, the carboxyl-ate groups are twisted out of the benzene ring planes by 88.4?(1) and 86.2?(2)°. In the crystal, the sulfonate O atoms of an anion inter-act with the protonated N atoms and the 2-amino groups of a cation via a pair of N-H?O hydrogen bonds, forming an R 2 (2)(8) ring motif. These motifs are connected via N-H?O hydrogen bonds, forming chains running along the a-axis direction. Within the chains there are weak C-H?O hydrogen bonds present. In addition, aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.771?(2), 3.599?(2), 3.599?(2) and 3.497?(2)?Å] involving neighbouring chains are also observed.

| S-EPMC4011207 | biostudies-literature

Tetra-aqua-bis[2-(thio-semi-carbazono-methyl)benzene-sulfonato]manganese(II).

Project description:In the title compound, [Mn(C(8)H(8)N(3)O(3)S(2))(2)(H(2)O)(4)], the Mn(II) atom (site symmetry ) adopts a slightly distorted octa-hedral MnO(6) geometry. The mol-ecular conformation is supported by N-H?N and O-H?O hydrogen bonds. In the crystal, mol-ecules inter-act by O-H?O, O-H?S, N-H?O and N-H?S hydrogen bonds, thereby forming (011) sheets.

| S-EPMC2971282 | biostudies-literature

Hexaaqua-magnesium bis-(4-amino-3-methyl-benzene-sulfonate).

Project description:In the title mol-ecular salt, [Mg(H(2)O)(6)](C(7)H(8)NO(3)S)(2), the Mg(2+) cation lies on an inversion centre. In the crystal, the components are linked by N-H?O and O-H?O hydrogen bonds, thereby generating sheets parallel to (001).

| S-EPMC2972177 | biostudies-literature

2-Amino-pyrimidin-1-ium 4-methyl-benzene-sulfonate.

Project description:In the crystal structure of the title compound, C(4)H(6)N(3) (+)·C(7)H(7)O(3)S(-), inter-molecular N-H?O hydrogen bonds link the cations and anions into chains along [100]. Additional stabilization is provided by weak C-H?O hydrogen bonds. An inter-molecular ?-? stacking inter-action with a centroid-centroid distance of 3.6957?(7)?Å is also observed. The H atoms of the methyl group were refined as disordered over two sets of sites with equal occupancies.

| S-EPMC3120468 | biostudies-literature

Tri-cyclo-[3.3.1.0(3,7)]nonane-3,7-diyl bis-(4-methyl-benzene-sulfonate).

Project description:The title compound, C23H26O6S2 was synthesized by esterification of tri-cyclo-[3.3.1.0(3,7)]nonane-3,7-diol with p-toluene-sulfonyl chloride. The mol-ecule has symmetry 2 and is situated on site 4e. The C-C bond length between the quartenary C atoms is 1.598?(2)?Å, which is considerably longer than other C-C bonds in the mol-ecule. There are C-H?O inter-actions present in the structure. As a consequence, the packing of the molecule (viewed along [100]) appears as chains where the molecules run parallel, but each chain has the opposite direction to the neighboring ones.

| S-EPMC3884498 | 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