Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-anilinium 4-methyl-benzene-sulfonate.

ABSTRACT: In the crystal structure of the title salt, C(6)H(7)ClN(+)·C(7)H(7)O(3)S(-), the cations and anions are linked via N-H⋯O hydrogen bonds into double chains in [101]. Weak inter-molecular C-H⋯π-ring inter-actions link these chains into layers parallel to the ac plane.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3238943 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

3-Chloro-anilinium 4-methyl-benzene-sulfonate.

Project description:In the crystal structure of the title salt, C(6)H(7)ClN(+)·C(7)H(7)O(3)S(-), the cations and anions are linked via N-H?O hydrogen bonds into doubled chains in [010]. Weak inter-molecular C-H?? inter-actions further link these chains into layers parallel to the bc plane.

| S-EPMC3247339 | biostudies-literature

2,5-Dichloro-anilinium 4-chloro-benzene-sulfonate.

Project description:In the crystal of the title compound, C(6)H(6)Cl(2)N(+)·C(6)H(4)ClO(3)S(-), the 2,5-dichloroanilinium cations and 4-chlorobenzenesulfonate anions are located on a crystallographic mirror plane and are connected by N-H?O hydrogen bonds. In the crystal, the connectivity of the hydrogen bonds leads to double chains propagating in [010].

| S-EPMC3099771 | 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

3-Fluoro-anilinium 4-methyl-benzene-sulfonate.

Project description:In the crystal structure of the title salt, C(6)H(7)FN(+)·C(7)H(7)O(3)S(-), the components are linked into chains along [010] via N-H?O hydrogen bonds. Further stabilization is is provided by weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.7156?(12)?Å.

| S-EPMC3247338 | biostudies-literature

3,4-Dimethyl-anilinium 4-methyl-benzene-sulfonate.

Project description:In the crystal structure of the title compound, C(8)H(12)N(+)·C(7)H(7)O(3)S(-), N-H?O hydrogen bonds link the cations and anions into ribbons parallel to the c axis. N-H?S inter-actions also occur.

| S-EPMC3201403 | biostudies-literature

2-Ethyl-6-methyl-anilinium 4-methyl-benzene-sulfonate.

Project description:The title compound, C(9)H(14)N(+)·C(7)H(7)SO(3) (-), contains a 2-ethyl-6-methyl-anilinium cation and a 4-methyl-benzene-sulfonic anion. The cations are anchored between the anions through N-H?O hydrogen bonds. Electrostatic and van der Waals inter-actions, as well as hydrogen bonds, maintain the structural cohesion.

| S-EPMC2968236 | biostudies-literature

4-Methyl-anilinium 4-hy-droxy-benzene-sulfonate.

Project description:In the crystal of the title molecular salt, C7H10N(+)·C6H5O4S(-), the benzene-sulfonate units are linked through phenol-sulfonate O-H?O hydrogen bonds, forming chains along the c-axis direction. These chains are linked via N-H?O hydrogen bonds involving two of the three H atoms of the ammonium group of the 4-methyl-anilium cation, giving rise to two-dimensional networks parallel to the bc plane which are further connected through an additional N-H?O inter-action in which the third ammonium H atom is involved, generating a three-dimensional network.

| S-EPMC3648257 | biostudies-literature

Crystal structure of 4-bromo-anilinium 4-methyl-benzene-sulfonate.

Project description:In the crystal of the title mol-ecular salt, C6H7BrN(+)·C7H7O3S(-), the anions and cations are linked via N-H⋯O hydrogen bonds forming layers, enclosing R 2 (2)(4) ring motifs, lying parallel to (001). Within the layers there are short O⋯O contacts of 2.843 (2) Å.

| S-EPMC4350755 | biostudies-literature

4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

Project description:In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1 (4)°. In the cation, the cyano-methyl group is twisted from the plane of the benzene ring [C-C-C-N = -86 (12)°]. In the crystal, the cations, anions and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a chain along the c axis.

| S-EPMC3007019 | biostudies-literature

4-Ethyl-anilinium 4-methyl-benzene-sulfonate.

Project description:In the crystal structure of the title molecular salt, C(8)H(12)N(+)·C(7)H(7)O(3)S(-), the 4-ethyl-anilinium cations and 4-methyl-benzene-sulfonate anions are linked into chains parallel to the b axis by inter-molecular N-H?O hydrogen bonds.

| S-EPMC3007541 | biostudies-other

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