Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Nitro-N-(4-pyridinio)benzene-sulfonamidate.

ABSTRACT: The title compound, C(11)H(9)N(3)O(4)S, crystallizes with two mol-ecules in the asymmetric unit; each mol-ecule exists as a zwitterion in the solid state. Inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains. Weak C-H⋯O inter-actions further stabilize the crystal structure.

SUBMITTER: Li JS

PROVIDER: S-EPMC2924180 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

4-Nitro-N-(4-pyridinio)benzene-sulfonamidate monohydrate.

Project description:The title compound, C(11)H(9)N(3)O(4)S·H(2)O, contains both an acid and a base centre, and displays a zwitterionic structure in the solid state. The benzene ring makes an angle of 109.1?(2)° with the pyridinium ring. The crystal structure is stabilized by O-H?N, O-H?O and N-H?O hydrogen bonds.

| S-EPMC2959784 | biostudies-literature

2-Nitro-N-(4-pyridinio)benzene-sulfonamidate monohydrate.

Project description:The title compound, C(11)H(9)N(3)O(4)S·H(2)O, contains both an acid and a base centre and displays a zwitterionic structure. There are two independent mol-ecules and two water mol-ecules in the asymmetric unit. The dihedral angles between the benzene ring and the pyridinium ring are 109.7?(1) and 110.7?(1)°. The dihedral angles between the nitro group and the benzene ring are 116.1?(2) and 116.7?(1)°. The crystal structure is stabilized by N-H?O, O-H?N and O-H?O hydrogen bonds.

| S-EPMC2959804 | biostudies-other

Potassium N-bromo-2-nitro-benzene-sulfonamidate monohydrate.

Project description:In the title compound, K(+)·C(6)H(4)BrN(2)O(4)S(-)·H(2)O, the K(+) ion is hepta-coordinated by two O atoms from two different water mol-ecules, three sulfonyl O atoms from three N-bromo-2-nitro-benzene-sulfonamidate anions and two nitro O atoms from two N-bromo-2-nitro-benzene-sulfonamidate anions. The S-N distance of 1.576?(4)?Å is consistent with an S=N double bond. The crystal structure is stabilized by inter-molecular O-H?N and O-H?Br hydrogen bonds which link the molecules into polymeric layers running parallel to the bc plane.

| S-EPMC3515114 | biostudies-literature

3-Nitro-5-(4-pyridinio)benzoate.

Project description:The title compound, C(12)H(8)N(2)O(4), crystallizes as a zwitterion in which the pyridyl N atom is protonated. The dihedral angle between the benzene and pyridinium rings is 27.9?(2)°. In the crystal, N-H?O hydrogen bonds link adjacent zwitterions into a three-dimensional structure.

| S-EPMC3007415 | biostudies-literature

Sodium N,2-dichloro-benzene-sulfonamidate sesquihydrate.

Project description:In the title compound, Na(+)·C(6)H(4)Cl(2)NO(2)S(-)·1.5H(2)O, one of the water mol-ecules lies on a twofold axis. There is no inter-action between the N atom and the sodium ion. The sodium ion exhibits a pseudo-octa-hedral coordination defined by three water O atoms and three sulfonyl O atoms from three different anions. The S-N distance of 1.588?(2)?Å is consistent with an S=N double bond. The crystal structure is stabilized by O-H?N and O-H?Cl hydrogen bonds.

| S-EPMC2984040 | biostudies-literature

Potassium N,4-dichloro-benzene-sulfonamidate monohydrate.

Project description:The structure of the title salt hydrate, K(+)·C(6)H(4)Cl(2)NO(2)S(-)·H(2)O, shows each of the sulfonyl O and water O atoms to be bidentate bridging. The hepta-coordinated K(+) cation is connected to two water O atoms, four sulfonyl O atoms and one Cl atom. The crystal structure comprises sheets in the bc plane which are further stabilized by O-H?N hydrogen bonds.

| S-EPMC3151743 | biostudies-literature

Potassium N,2-dichloro-benzene-sulfonamidate sesquihydrate.

Project description:In the title compound, K(+)·C(6)H(4)Cl(2)NO(2)S(-)·1.5H(2)O, one water mol-ecule has crystallographically imposed twofold symmetry. The K(+) ion is heptacoordinated by three O atoms from water mol-ecules and by four sulfonyl O atoms of N-chloro-2-chloro-benzene-sulfonamide anions. The S-N distance of 1.582 (2) Å is consistent with an S-N double bond. In the structure, the sulfonyl-O and the water-O atoms bridge the K(+) cations in a bidentate fashion. The crystal structure comprises sheets in the ac plane which are further stabilized by inter-molecular O-H⋯Cl and O-H⋯N hydrogen bonds.

| S-EPMC3151921 | biostudies-literature

Potassium N-bromo-2-methyl-benzene-sulfonamidate sesquihydrate.

Project description:In the structure of the title compound, K(+)·C(7)H(7)BrNO(2)S(-)·1.5H(2)O, the K(+) ion is hepta-coordinated by three O atoms from water mol-ecules and by four sulfonyl O atoms of N-bromo-2-methyl-benzene-sulfonamide anions. The S-N distance of 1.577?(5)?Å is consistent with an S=N double bond. The crystal structure comprises sheets in the ac plane which are further stabilized by O-H?Br and O-H?N hydrogen bonds.

| S-EPMC3212111 | biostudies-literature

Potassium N-bromo-2,4-dichloro-benzene-sulfonamidate sesquihydrate.

Project description:The asymmetric unit of the title salt, K(+)·C(6)H(3)BrCl(2)NO(2)S(-)·1.5H(2)O, contains one K(+) cation, one N-bromo-2,4-dichlorobenzenesulfonamidate anion, one water molecule in general position and one water molecule located on a twofold rotation axis. The K(+) cation is hepta-coordinated by three water O atoms and four sulfonyl O atoms from three symmetry-related N-bromo-2,4-dichloro-benzene-sulfonamide anions. The S=N distance of 1.575?(3)?Å is consistent with that of a double bond. In the crystal, the anions are linked by O-H?Br and O-H?N hydrogen bonds into layers parallel to the ac plane.

| S-EPMC3515121 | biostudies-literature

Potassium N-bromo-4-chloro-benzene-sulfonamidate monohydrate.

Project description:In the structure of the title compound, K(+)·C(6)H(4)BrClNO(2)S(-)·H(2)O, the K(+) cation is hepta-coordinated. It is connected to two water O atoms, four sulfonyl O atoms and one Br atom. Further, the sulfonyl and water O atoms in the structure are bridged in a bidentate fashion. The S-N distance of 1.584?(6)?Å is consistent with an S-N double bond, The crystal structure is stabilized by inter-molecular O-H?N hydrogen bonds.

| S-EPMC3152022 | 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