Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate.

ABSTRACT: In the crystal of the title compound, C(18)H(22)N(2)O(4)S·2H(2)O, mol-ecules are linked into a one-dimensional chain structure by C-H?O, N-H?O, O-H?O and O-H?N hydrogen bonds.

SUBMITTER: Zhang W

PROVIDER: S-EPMC2970384 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-(4-Diethyl-amino-2-hydroxy-benzyl-idene-ammonio)-3-methyl-benzene-sulfonate dihydrate.

Zhang Wei W Chen Yuan-Tao YT

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

In the crystal of the title compound, C(18)H(22)N(2)O(4)S·2H(2)O, mol-ecules are linked into a one-dimensional chain structure by C-H⋯O, N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds. ...[more]

PMID: 21577810

Similar Datasets

4-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)ammonio]-3-methyl-benzene-sulfonate.

Project description:In the zwitterionic title compound, C(18)H(22)N(2)O(4)S, the dihedral angle between the aromatic rings is 16.39?(11)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming chains propagating in [01].

| S-EPMC2971024 | biostudies-literature

(E)-4-[4-(Diethyl-amino)-benzyl-idene-ammonio]-benzene-sulfonate.

Project description:The title compound, C(17)H(20)N(2)O(3)S, synthesised from sulfanilic acid and 4-diethyl-amino-benzaldehyde, crystallized out as a zwitterion with the central N atom protonated. The zwitterion exists in an E conformation with respect to the C=N double bond. The dihedral angle between the benzene rings is 37.57 (5)°. In the crystal, the zwitterions are linked into a tape along the a axis by N-H⋯O hydrogen bonds. The crystal structure is further stabilized by weak C-H⋯O inter-actions and π-π inter-actions with a centroid-centroid distance of 3.8541 (6) Å. An O⋯O [2.8498 (11) Å] short contact is present.

| S-EPMC3393963 | biostudies-literature

4-[(2,4-Dihydroxy-benzyl-idene)ammonio]benzene-sulfonate trihydrate.

Project description:The title Schiff base compound, C(13)H(11)NO(5)S·3H(2)O, formed from sulfanilic acid and 2,4-dihydroxy-benzaldehyde, crystallized out as a zwitterion with the N atom protonated. The asymmetric unit consists of one 4-[(2,4-dihydroxy-benzyl-idene)ammonio]benzene-sulfonate and three water mol-ecules. The zwitterion exists in an E configuration with respect to the central C=N double bond. The two benzene rings of the mol-ecule are oriented at a dihedral angle of 27.33?(8)°. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular structure. In the crystal, the zwitterions are linked into chains along [101] by inter-molecular O-H?O and N-H?O hydrogen bonds. The three water mol-ecules link these chains into a three-dimensional framework by additional inter-molecular O-H?O hydrogen bonds. A ??? inter-action [3.5485?(9)?Å] further stabilizes the crystal structure.

| S-EPMC2983714 | biostudies-literature

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

Project description: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.

| S-EPMC3051451 | biostudies-literature

4-Amino-pyridinium 4-amino-benzene-sulfonate 4-ammonio-benzene-sulfonate monohydrate.

Project description:The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(6)H(6)NO(3)S(-)·C(6)H(7)NO(3)S·H(2)O, contains one 4-ammonio-benzene-sulfonate zwitterion ((+)H(3)NC(6)H(4)SO(3) (-)), one 4-amino-benzene-sulfonate anion (H(2)NC(6)H(4)SO(3) (-)), one 4-amino-pyridinium cation and two half-mol-ecules of water, each lying on a twofold rotation axis. The various ions and molecules in the structure are linked through N-H⋯O, N-H⋯N and N-H⋯S hydrogen bonds and C-H-π inter-actions into a three-dimensional framework.

| S-EPMC2960977 | 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

4-Amino-3-ammonio-benzene-sulfonate.

Project description:The title compound, C(6)H(8)N(2)O(3)S, crystallized as a sulfonate-aminium zwitterion. In the crystal, inter-molecular N-H?O hydrogen bonds generate an extensive three-dimensional network, which consolidates the packing.

| S-EPMC3011372 | biostudies-literature

(E)-2-(4-Diethyl-amino-2-hydroxy-benzyl-idene-amino)benzonitrile.

Project description:The mol-ecule of the title compound, C(18)H(19)N(3)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 2.62?(11)°. A strong intra-molecular O-H?N hydrogen bond stabilizes the mol-ecular conformation.

| S-EPMC2983696 | biostudies-literature

4-Amino-5-(2-hydroxy-benzyl-idene-amino)benzene-1,2-dicarbonitrile.

Project description:A new tetra-dentate unsymmetrical Schiff base, C(15)H(10)N(4)O, has been synthesized from 4,5-dicyano-o-phenyl-enediamine and o-vanillin in refluxing ethanol. The dihedral angle between the two benzene rings is 39.0?(1)°. There are intra-molecular O-H?N and weak inter-molecular N-H?O and N-H?N inter-actions.

| S-EPMC2977663 | biostudies-literature

(E)-4-[(2-Hydroxy-benzyl-idene)amino]benzene-sulfonic acid.

Project description:The title mol-ecule, C(13)H(11)NO(4)S, displays a trans configuration with respect to the imine C=N double bond. The central benzene ring directly linked to N and the hydroxyl group are disordered over two orientations [occupancies of 0.510?(16)/0.490?(16) and 0.528?(8)/0.472?(8), respectively]. The dihedral angle between the two aromatic rings is 23.3?(5)° for the major component and 18.3?(5)° for the minor component. There is an intra-molecular O-H?N hydrogen bond and mol-ecules are linked into chains along the a axis by O-H?O hydrogen bonds.

| S-EPMC2961500 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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