Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Shakuntala K

PROVIDER: S-EPMC3099771 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Shakuntala K K Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20110326 Pt 4

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]. ...[more]

PMID: 21754230

Similar Datasets

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-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

4-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 double chains in [101]. Weak inter-molecular C-H⋯π-ring inter-actions link these chains into layers parallel to the ac plane.

| S-EPMC3238943 | biostudies-literature

2,5-Dichloro-anilinium chloride monohydrate.

Project description:The title compound, C(6)H(6)Cl(2)N(+)·Cl(-)·H(2)O, is composed of discrete cations, choride anions and water mol-ecules, which are connected through N-H?Cl, O-H?Cl and N-H?O hydrogen bonding. Two H atoms of the positively charged -NH(3) (+) group have two chloride acceptors and the other one has the O atom of the water mol-ecule as acceptor. The chloride anions form hydrogen bonds with two H atoms from two different water mol-ecules and two H atoms from two positively charged -NH(3) (+) groups.

| S-EPMC2968594 | 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

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

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

2,5-Dichloro-N-cyclo-hexyl-benzene-sulfonamide.

Project description:The structure of the title sulfonamide, C(12)H(15)Cl(2)NO(2)S, features a distorted tetra-hedral geometry for the S atom [maximum deviation: O-S-O = 120.23?(14)°]. One of the sulfonamide O atoms is coplanar with the benzene ring [C-C-S-O torsion angle = -174.5?(2)°], whereas the other lies well above the plane [C-C-S-O = 57.0?(3)°]. A chair conformation is found for the cyclo-hexyl ring. In the crystal, supra-molecular chains aligned along the c axis are formed via N-H?O hydrogen bonds; these are consolidated in the three-dimensional packing by C-H?O contacts involving the second sulfonamide O atom.

| S-EPMC2983123 | biostudies-literature

N-(2,5-Dichloro-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(12)H(9)Cl(2)NO(2)S, the conformation of the N-H bond is syn to the 2-chloro group and anti to the 3-chloro group of the aniline benzene ring. The mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of 66.4?(2)°. The two rings form a dihedral angle of 73.3?(1)° and an intra-molecular N-H?Cl hydrogen bond occurs. The crystal structure features chains linked by N-H?O hydrogen bonds.

| S-EPMC2983589 | 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