Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hexaaqua-magnesium bis-{4-[(5-bromo-2-hy-droxy-benzyl-idene)amino]-benzene-sulfonate} dihydrate.

ABSTRACT: In the title hydrated mol-ecular salt, [Mg(H(2)O)(6)](C(13)H(9)BrNO(4)S)(2)·2H(2)O, the Mg(2+) ion (site symmetry ) adopts a near regular MgO(6) octa-hedral coordination geometry. In the anion, the dihedral angle between the aromatic rings is 2.5?(2)° and an intra-molecular O-H?N hydrogen bond generates an S(6) ring. In the crystal, the components are linked by O-H?O and O-H?Br hydrogen bonds.

SUBMITTER: Tai XS

PROVIDER: S-EPMC3051451 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Hexaaqua-magnesium bis-{4-[(5-bromo-2-hy-droxy-benzyl-idene)amino]-benzene-sulfonate} dihydrate.

Tai Xi-Shi XS

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

In the title hydrated mol-ecular salt, [Mg(H(2)O)(6)](C(13)H(9)BrNO(4)S)(2)·2H(2)O, the Mg(2+) ion (site symmetry ) adopts a near regular MgO(6) octa-hedral coordination geometry. In the anion, the dihedral angle between the aromatic rings is 2.5 (2)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, the components are linked by O-H⋯O and O-H⋯Br hydrogen bonds. ...[more]

PMID: 21522820

Similar Datasets

Hexaaqua-magnesium bis-(3-carb-oxy-4-hy-droxy-benzene-sulfonate) dihydrate.

Project description:In the crystal structure of the title compound, [Mg(H(2)O)(6)](C(7)H(5)O(6)S)(2)·2H(2)O, the octa-hedral complex cation lies on an inversion centre and is hydrogen bonded through the coordinated water molecules to the substituted benzene-sulfonate monoanions and the water mol-ecules of solvation. These inter-actions together with a carb-oxy-lic acid O-H⋯O(sulfonate) association give a three-dimensional structure.

| S-EPMC3200685 | biostudies-literature

Hexaaqua-cadmium(II) bis-[4-(2-hydroxy-benzyl-ideneamino)benzene-sulfonate] dihydrate.

Project description:In the title compound, [Cd(H(2)O)(6)](C(13)H(10)NO(4)S)(2)·2H(2)O, the Cd atom (site symmetry ) adopts a regular octa-hedral coordination and the anion is stabilized by an intra-molecular O-H⋯N hydrogen bond. O-H⋯O hydrogen bonds involving the coordinated and uncoordinated water mol-ecules lead to a three-dimensional network.

| S-EPMC2961211 | biostudies-literature

Hexaaqua-zinc(II) bis-(4-hydroxy-benzene-sulfonate) dihydrate.

Project description:In the crystal structure of the title compound, [Zn(H(2)O)(6)](C(6)H(5)O(4)S)(2)·2H(2)O, the Zn(II) atom lies on a center of inversion. The complex cation inter-acts with the anion and uncoord-inated water mol-ecules by O-H?O hydrogen bonds, generating a three-dimensional network. The anion is disordered over two equal positions along the hydr-oxy-sulfonate C-C axis.

| S-EPMC2971186 | biostudies-literature

(E)-Ethyl N'-(3-hy-droxy-benzyl-idene)hydrazinecarboxyl-ate dihydrate.

Project description:The asymmetric unit of the title compound, C(10)H(12)N(2)O(3)·2H(2)O, contains two organic mol-ecules with similar conformations and four water mol-ecules. Each organic mol-ecule is close to planar (r.m.s. deviations = 0.035 and 0.108?Å) and adopts a trans conformation with respect to its C=N bond. In the crystal, the components are linked into a three-dimensional network by N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds, some of which are bifurcated. An R(2) (2)(8) loop occurs between adjacent organic mol-ecules.

| S-EPMC3212279 | 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

N'-(5-Bromo-2-hy-droxy-benzyl-idene)-4-methyl-benzohydrazide.

Project description:The mol-ecule of the title compound, C(15)H(13)BrN(2)O(2), displays an E conformation with respect to the C=N double bond and the dihedral angle between the planes of the benzene rings is 3.1?(2)°. An intra-molecular O-H?N inter-action generates an S(6) ring. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming C(4) chains along the c-axis direction.

| S-EPMC3247477 | biostudies-literature

4-[(2-Hy-droxy-5-nitro-benzyl-idene)amino]-benzene-sulfonamide.

Project description:The title Schiff base compound, C(13)H(11)N(3)O(5)S, exists in an E configuration with respect to the C=N double bond. The benzene rings are almost coplanar, making a dihedral angle of 2.82 (6). The sulfonamide group is twisted away from the attached phenyl ring with an N-S-C-C torsion angle of 64.84 (11)°. An intra-molecular O-H⋯N hydrogen bond stabilizes the mol-ecule, generating an S(6) ring motif. In the crystal, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2983168 | biostudies-literature

(E)-N'-(4-Eth-oxy-benzyl-idene)-4-hy-droxy-benzohydrazide dihydrate.

Project description:The benzohydrazide mol-ecule of the title compound, C(16)H(16)N(2)O(3)·2H(2)O, exists in a trans conformation with respect to the C=N double bond. The central O=C-NH-N=C plane [r.m.s. deviation of 0.0165?(1)?Å for the five non-H atoms] makes dihedral angles of 6.04?(8) and 2.38?(8)°, respectively, with the hy-droxy- and eth-oxy-substituted benzene rings. The dihedral angle between these benzene rings is 3.82?(7)°. The eth-oxy group is almost coplanar with the attached benzene ring with a C-O-C-C torsion angle of -176.58?(11)°. In the crystal, the benzohydrazide and water mol-ecules are linked by N-H?O, O-H?O , O-H?N and C-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC3379254 | biostudies-literature

2-Amino-5-bromo-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(5)H(6)BrN(2) (+)·C(7)H(5)O(6)S(-), contains two independent 2-amino-5-bromo-pyridinium cations and two independent 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions. The hy-droxy and carboxyl groups of the anions are involved in intra-molecular O-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal structure, the ions are linked by N-H⋯O and O-H⋯O hydrogen bonds into a two-dimensional network parallel to (110). Adjacent networks are linked via C-H⋯O hydrogen bonds.

| S-EPMC3007841 | biostudies-literature

(E)-N'-(5-Bromo-2-hy-droxy-benzyl-idene)-3,5-dihy-droxy-benzohydrazide monohydrate.

Project description:The Schiff base mol-ecule in the title compound, C(14)H(11)BrN(2)O(4)·H(2)O, is almost planar with an r.m.s. deviation for the non-H atoms of 0.16?Å. In the crystal structure, the Schiff base mol-ecules and the water mol-ecules are linked together by inter-molecular N-H?O and O-H?O hydrogen bonds, leading to layers parallel to the bc plane. An intra-molecular O-H?N hydrogen bond involving the imine N atom and a hy-droxy substituent is also observed.

| S-EPMC3007438 | 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