Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(2-Hydroxy-ethyl)anilinium 3-carb-oxy-4-hydroxy-benzene-sulfonate monohydrate.

ABSTRACT: In the structure of the title compound, C(8)H(12)NO(+)·C(7)H(5)O(6)S(-)·H(2)O, isolated from the reaction of 2-(4-amino-phen-yl)ethanol with 5-sulfosalicylic acid, the cations form head-to-tail hydrogen-bonded chains through C(1) (1)(9) anilinium N(+)-H⋯O(hydrox-yl) inter-actions while the anions also form parallel but C(1) (1)(8)-linked chains through carboxylic acid O-H⋯O(sulfonate) inter-actions. These chains inter-associate through a number of N(+)-H⋯O and O-H⋯O bridging inter-actions, giving a two-dimensional array in the ab plane.

SUBMITTER: Smith G

PROVIDER: S-EPMC2971952 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Piperidinium 3-carb-oxy-4-hydroxy-benzene-sulfonate monohydrate.

Project description:The asymmetric unit of the title compound, C(5)H(12)N(+)·C(7)H(5)O(6)S(-)·H(2)O, contains a piperidinium cation, one 3-carb-oxy-4-hydroxy-benzene-sulfonate anion and one water mol-ecule. Inter-molecular O-H⋯O, O-H⋯S and N-H⋯O hydrogen bonds generate a three-dimensional hydrogen-bonded framework.

| S-EPMC2961486 | biostudies-literature

1-Hydroxy-ethyl-2-methyl-5-nitro-imidazolium 3-carb-oxy-4-hydroxy-benzene-sulfonate.

Project description:Cocrystallization of 1-hydroxy-ethyl-2-methyl-5-nitroimidazole (metronidazole) and 5-sulfosalicylic acid (5-H(2)SSA) from methanol solution yields the title salt, C(6)H(10)N(3)O(3) (+)·C(7)H(5)O(6)S(-). In the crystal structure, the ions are linked by a combination of inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional framework. The hydroxyl group of the cation is disordered over two sites in a 0.860 (4):0.140 (4) ratio.

| S-EPMC2961761 | biostudies-literature

4-Nitro-anilinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the title hydrated salt, C6H7N2O2 (+)·C7H5O6S(-)·H2O, the benzene ring of the cation makes a dihedral angle of 1.32?(19)° with the attached nitro group. In the anion, an intra-molecular O-H?O hydrogen bond with an S(6) ring motif is formed between the carb-oxyl and hy-droxy groups; the dihedral angle between the carb-oxyl group and the benzene ring is 8.76?(8)°. The crystal structure exhibits inter-molecular N-H?O, O-H?O, C-H?O, and ?-? [centroid-centroid distances = 3.6634?(9) and 3.7426?(9)?Å] inter-actions to form a three-dimensional network.

| S-EPMC3884284 | biostudies-other

4,4'-Methyl-enedianilinium bis-(3-carb-oxy-4-hydroxy-benzene-sulfonate) monohydrate.

Project description:Co-crystallization of 4,4'-methyl-enediphenyl-amine (MDA) and 5-sulfosalicylic acid (5-H(2)SSA) yields the title salt, C(13)H(16)N(2) (2+)·2C(7)H(5)O(6)S(-)·H(2)O. The asymmetric unit is comprised of one dication, two anions and one water mol-ecule. In the crystal structure, the components of the salt are linked by a combination of inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds into a three-dimensional framework. In addition, two weak ?-? inter-actions [with centroid-centroid distances of 3.8734?(15) and 3.7465?(15)?Å] and one C-H?? inter-action further stabilize the crystal structure.

| S-EPMC2959445 | biostudies-other

o-Phenyl-enediammonium bis-(3-carb-oxy-4-hydroxy-benzene-sulfonate).

Project description:In the title salt, C(6)H(10)N(2) (2+)·2C(7)H(5)O(6)S(-), the negative charge of the anion resides on the sulfonate group. In the crystal, the cations and anions are -linked by N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network. The complete dication is generated by crystallographic twofold symmetry.

| S-EPMC2971768 | biostudies-literature

Pyrazine-diium bis-(3-carb-oxy-4-hydroxy-benzene-sulfonate) dihydrate.

Project description:Pyrazine and 5-sulfosalicylic acid crystallize from a methanol solution containing water as the title salt, C(4)H(6)N(2) (2+)·2C(7)H(5)O(6)S(-)·2H(2)O. The pyrazine-diium cation sits on an inversion center. The component ions and water mol-ecules are linked by inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds into layers running parallel to the (10) plane.

| S-EPMC2961784 | biostudies-literature

2,3-Diamino-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(6)S(-)·H(2)O, the ion pairs and water mol-ecules are connected by N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, thereby forming a three-dimensional network. There is an intra-molecular O-H⋯O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, which generates an S(6) ring motif.

| S-EPMC3247506 | biostudies-literature

4-(4-Carb-oxy-1,3-thia-zol-2-yl)pyridinium 3-carb-oxy-4-hydroxy-benzene-sulfonate dihydrate.

Project description:In the crystal structure of the title compound, C(9)H(7)N(2)O(2)S(+)·C(7)H(5)O(6)S(-)·2H(2)O, an H atom from the 5-sulfosalicylic acid is transferred to the pyridyl N atom, forming a salt. The dihedral angle between the thiazole and pyridinium rings is 5.909 (5)°. The crystal packing is determined by O-H⋯O and N-H⋯O hydrogen bonds involving water mol-ecules.

| S-EPMC2959449 | biostudies-literature

2,4-Dichloro-anilinium 4-chloro-benzene-sulfonate monohydrate.

Project description:The asymmetric unit of the title compound, C(6)H(6)Cl(2)N(+)·C(6)H(4)ClO(3)S(-)·H(2)O, contains two 2,4-dichloro-anilinium cations, two 4-chloro-phenyl-sulfonate anions and two water mol-ecules. The three H atoms of the positively charged NH(3) group have two O atoms of the negatively charged sulfonate anion and one O atom of the water mol-ecule as acceptors. Similarly, the two H atoms of the water mol-ecule have two O atoms of two different negatively charged sulfonate anions as acceptors. Further, one of the O atoms of the sulfonate anion is involved in simultaneous hydrogen bonds with two H atoms, one from the positively charged NH(3) group and the other from the water mol-ecule. In the crystal, mol-ecules are packed into a layer structure through N-H?O(S), N-H?O(H(2)O) and N-H?O(S)?H-O(H(2)O) (three-centre) hydrogen bonding, the chains running along the c axis.

| S-EPMC3089207 | biostudies-literature

4-Ethyl-anilinium 2-carb-oxy-acetate.

Project description:In the crystal structure of the title compound, C(8)H(12)N(+)·C(3)H(3)O(4) (-), the hydrogen malonate anions are linked into infinite chains parallel to the b axis by inter-molecular O-H?O hydrogen bonds of the type COO(-)?HO(2)C in a head-to-tail fashion. The 4-ethyl-anilinium cations link adjacent anion chains by inter-molecular N-H?O hydrogen bonds into a two-dimensional network parallel to the b and c axes.

| S-EPMC3007306 | 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