Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Sodium N-chloro-2-methyl-benzene-sulfonamidate sesquihydrate.

ABSTRACT: In the title salt, Na(+)·C(7)H(7)ClNO(2)S(-)·1.5H(2)O, one of the water mol-ecules lies on a twofold axis. The sodium ion shows an O(6) octa-hedral coordination defined by three water O atoms and three sulfonyl O atoms derived from three different anions. The S-N distance of 1.5898?(19)?Å is consistent with an S=N double bond. The crystal structure is stabilized by N-H?O and O-H?Cl hydrogen bonds.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2969781 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Sodium N-chloro-2-methyl-benzene-sulfonamidate sesquihydrate.

Gowda B Thimme BT Foro Sabine S Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

In the title salt, Na(+)·C(7)H(7)ClNO(2)S(-)·1.5H(2)O, one of the water mol-ecules lies on a twofold axis. The sodium ion shows an O(6) octa-hedral coordination defined by three water O atoms and three sulfonyl O atoms derived from three different anions. The S-N distance of 1.5898 (19) Å is consistent with an S=N double bond. The crystal structure is stabilized by N-H⋯O and O-H⋯Cl hydrogen bonds. ...[more]

PMID: 21583054

Similar Datasets

Sodium N-bromo-2-chloro-benzene-sulfonamidate sesquihydrate.

Project description:In the title compound, Na(+)·C(6)H(4)BrClNO(2)S(-)·1.5H(2)O, one water mol-ecule has crystallographically imposed twofold symmetry. The Na(+) cation shows a pseudo-octa-hedral coordination provided by three O atoms of water mol-ecules and three sulfonyl O atoms of different N-bromo-2-chloro-benzene-sulfonamidate anions. The S-N distance of 1.579?(6)?Å is consistent with an S=N double-bond character. The crystal structure is stabilized by O-H?Br, O-H?N and O-H?O hydrogen bonds.

| S-EPMC3152083 | biostudies-other

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-bromo-2-chloro-benzene-sulfonamidate sesquihydrate.

Project description:In the structure of the title compound, K(+)·C(6)H(4)BrClNO(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-chloro-benzene-sulfonamidate anions. The S-N distance of 1.582 (4) Å is consistent with an S=N double bond. The crystal structure is stabilized by inter-molecular O-H⋯Br and O-H⋯N hydrogen bonds. The asymmetric unit consits of one potassium cation, one N-bromo-2-chloro-benzene-sulfonamidate anion and one water mol-ecule in general positions and one water mol-ecule located on a twofold rotation axis.

| S-EPMC3151922 | 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,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-2,4-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-2-methyl-benzene-sulfonamidate monohydrate.

Project description:In the title compound, K(+)·C7H6BrClNO2S(-)·H2O, the K(+) cation is hepta-coordinated by two water O atoms, four sulfonyl O atoms of four different N-bromo-4-chloro-2-methyl-benzene-sulfonamidate anions, and one Br atom of one of the anions. The S-N distance of 1.584?(3)?Å is consistent with an S=N double bond. In the crystal, the anions are linked into layers by O-H?Br and O-H?N hydrogen bonds.

| S-EPMC3772410 | 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

1-Chloro-methyl-4-nitro-benzene.

Project description:In the title compound, C(7)H(6)ClNO(2), the nitro group is almost coplanar with the aromatic ring [dihedral angle = 2.9 (2)°], but the Cl atom deviates from the ring plane by 1.129 (1) Å. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions to generate chains.

| S-EPMC3006927 | biostudies-literature

Methyl 5-chloro-2-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:In the title compound, C(15)H(14)ClNO(4)S, the benzene rings are oriented at a dihedral angle of 85.42?(1)°. An intra-molecular N-H?O hydrogen bond results in the formation of a five-membered ring and an intramolecular C-H?O inter-action also occurs.

| S-EPMC2979427 | 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