Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(Dimethyl-ammonio)naphthalene-1-sulfonate dihydrate.

ABSTRACT: There are two formula units in the asymmetric unit of the title compound, C(12)H(13)NO(3)S·2H(2)O. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Xiao ZA

PROVIDER: S-EPMC2971812 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

5-(Dimethyl-ammonio)naphthalene-1-sulfonate dihydrate.

Xiao Zuo-An ZA Zhan Dan D

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

There are two formula units in the asymmetric unit of the title compound, C(12)H(13)NO(3)S·2H(2)O. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 21578754

Similar Datasets

1-Ammonio-naphthalene-2-sulfonate.

Project description:In the mol-ecule of the zwitterionic title compound, C(10)H(9)NO(3)S, an intra-molecular N-H?O hydrogen bond results in the formation of an almost planar six-membered ring (r.m.s daviation = 0.0150?Å), which is oriented at a dihedral angle of 1.63?(3)° with respect to the naphthalene ring system. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into a two-dimensional network.

| S-EPMC2970290 | biostudies-literature

Bis(pyridinium) naphthalene-1,5-di-sulfonate dihydrate.

Project description:The asymmetric unit of the title organic salt, 2C(5)H(6)N(+)·C(10)H(6)O(6)S(2) (2-)·2H(2)O, consists of a pyridinium cation, half a naphthalene-1,5-disulfonate dianion and a water mol-ecule. The dianion has a crystallographically imposed centre of symmetry. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link cations, anions and water mol-ecules into a three-dimensional network.

| S-EPMC3344599 | biostudies-literature

8-Quinolyl 5-(dimethyl-amino)-naphthalene-1-sulfonate.

Project description:In the title compound, C(21)H(18)N(2)O(3)S, the dihedral angle between the naphthalene and quinoline ring systems is 55.53?(2)°, and the torsion angle involving the connecting C-S-O-C atoms is 87.60?(3)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds connect mol-ecules into chains along [100] and there are ?-? stacking inter-actions between pairs of chains with a centroid-centroid distance of 3.5485?(15)?Å.

| S-EPMC3007537 | biostudies-literature

8-Ammonio-naphthalene-2-sulfonate monohydrate: the zwitterionic hydrate of 1,7-Cleve's acid.

Project description:The structure of 8-amino-2-naphthalene-sulfonic acid monohydrate (1,7-Cleve's acid hydrate), C(10)H(9)NO(3)S·H(2)O, shows the presence of a sulfonate-aminium group zwitterion, both groups and the water mol-ecule of solvation giving cyclic R(3) (3)(8) O-H⋯O and N-H⋯O inter-molecular hydrogen-bonding inter-actions, forming chains which extend down the a axis of the unit cell. Additional peripheral associations, including weak aromatic ring π-π inter-actions [centroid-centroid distance = 3.6299 (15) Å], result in a two-dimensional sheet structure.

| S-EPMC2969967 | biostudies-literature

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

Project description: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.

| S-EPMC2970384 | biostudies-literature

Crystal structure of 4,4'-bipyridine-1,1'-diium naphthalene-2,6-di-sulfonate dihydrate.

Project description:The title hydrated mol-ecular organic salt, C10H10N2 (2+)·C10H6O6S2 (2-)·2H2O, crystallized with half a bipyridinium cation, half a naphthalene-2,6-di-sulfonate anion and a water mol-ecule in the asymmetric unit. The whole cation and anion are generated by inversion symmetry, the inversion centers being at the center of the bridging C-C bond of the cation, and at the center of the fused C-C bond of the naphthalene group of the anion. In the crystal, the anions and cations stack alternately along the a axis with π-π inter-actions [inter-centroid distance = 3.491 (1) Å]. The anions are linked via O-H⋯O(sulfonate) hydrogen bonds involving two inversion-related water mol-ecules, forming chains along [10-1]. These chains are bridged by bifurcated N-H⋯(O,O) hydrogen bonds, forming a three-dimensional framework structure. There are also C-H⋯O hydrogen bonds present, reinforcing the framework structure.

| S-EPMC4186165 | biostudies-literature

3-Amino-pyridinium 4-hydr-oxy-3-iodo-naphthalene-1-sulfonate dihydrate.

Project description:In the hydrated title salt, C(5)H(7)N(2) (+)·C(10)H(6)IO(4)S(-)·2H(2)O, the component species are linked by O-H⋯O and N-H⋯O hydrogen bonds, forming an infinite three-dimensional framework.

| S-EPMC2961594 | biostudies-literature

Hexaaqua-cadmium(II) 2,2'-(azino-dimethyl-idyne)dibenzene-sulfonate dihydrate.

Project description:In the title compound, [Cd(H(2)O)(6)](C(14)H(10)O(6)N(2)S(2))·2H(2)O, the complete cation and anion are each generated by crystallographic inversion symmetry. In the crystal structure, the components form a three-dimensional network by way of O-H⋯O and O-H⋯N hydrogen bonds.

| S-EPMC2959959 | 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

Phenyl naphthalene-2-sulfonate.

Project description:In the crystal structure of the title compound, C(16)H(12)O(3)S, the dihedral angle between the naphthalene ring system and the phenyl ring is 65.21 (3)°. The mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds, forming a chain along the a axis. The chains are connected through weak C-H⋯π inter-actions.

| S-EPMC2959821 | 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