Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 2-(benzene-sulfonamido)acetate.

ABSTRACT: The title compound, C(9)H(11)NO(4)S, is of inter-est as a precursor to biologically active benzothia-zines. The crystal structure is stabilized by inter-molecular N-H?O and C-H?O inter-actions.

SUBMITTER: Arshad MN

PROVIDER: S-EPMC2969744 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 2-(benzene-sulfonamido)acetate.

Arshad Muhammad Nadeem MN Khan Islam Ullah IU Zia-Ur-Rehman Muhammad M Shafiq Muhammad M

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

The title compound, C(9)H(11)NO(4)S, is of inter-est as a precursor to biologically active benzothia-zines. The crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O inter-actions. ...[more]

PMID: 21583074

Similar Datasets

Methyl (4-bromo-benzene-sulfonamido)acetate.

Project description:The title compound, C(9)H(10)BrNO(4)S, is an inter-mediate for the formation of benzothia-zines. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming R(2) (2)(10) ring motifs, which are linked into a two-dimensional polymeric sheet through inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2960029 | biostudies-literature

Methyl 2-benzene-sulfonamido-benzoate.

Project description:In the title compound, C(14)H(13)NO(4)S, the conformation of the C-S-N-C segment is gauche and the two benzene rings are tilted relative to each other by 85.62?(8)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring and an C-H?O inter-action also occurs. In the crystal, inter-molecular C-H?O hydrogen bonds are observed, which link the mol-ecules into [100] C(7) chains.

| S-EPMC3007297 | biostudies-literature

4-(3-Methyl-benzene-sulfonamido)-phenyl 3-methyl-benzene-sulfonate.

Project description:The complete mol-ecule of the title compound, C(20)H(19)NO(5)S(2), is generated by a crystallographic twofold axis and the O atom and N-H group attached to the central benzene ring are statistically disordered. The dihedral angle between the central and terminal benzene rings is 56.91 (5)° and that between the terminal benzene rings is 29.80 (5)°. In the crystal, N-H⋯O hydrogen bonding links the mol-ecules into sheets lying parallel to the ab plane.

| S-EPMC3274951 | biostudies-literature

4-(4-Nitro-benzene-sulfonamido)pyridinium trichloro-acetate.

Project description:In the crystal structure of the title compound, C(11)H(10)N(3)O(4)S·C(2)Cl(3)O(2), the dihedral angle between the two six-membered rings is 69.2 (1)°. The mol-ecules are connected via inter-molecular N-H⋯O hydrogen bonding.

| S-EPMC2960198 | biostudies-literature

4-(4-Nitro-benzene-sulfonamido)pyridinium trifluoro-acetate.

Project description:In the title compound, C(11)H(10)N(3)O(4)S(+)·C(2)F(3)O(2) (-), the benzene ring makes an angle of 87.3 (2)° with the pyridinium ring. The nitro group is essentially coplanar with the benzene ring. The F atoms of the CF(3) group are disordered over two positions with almost equal occupancy [0.531 (12)/0.469 (12)]. The crystal structure is stabilized by N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2962139 | biostudies-literature

4-(4-Nitro-benzene-sulfonamido)pyridinium trichloro-acetate.

Project description:In the title compound, C(11)H(10)N(3)O(4)S(+)·C(2)Cl(3)O(2) (-), the benzene ring forms an angle of 85.21 (13)° with the pyridinium ring. The nitro group is nearly coplanar with its attached benzene ring [dihedral angle = 3.68 (12)°]. In the crystal structure, strong N-H⋯O hydrogen bonds link the ion-pairs. The packing is further consolidated by weak C-H⋯O inter-ations.

| S-EPMC2915311 | biostudies-literature

Cyano-methyl 4-(4-methyl-benzene-sulfonamido)-benzoate.

Project description:The title mol-ecule, C(16)H(14)N(2)O(4)S, adopts an L-shaped conformation, with the central C-S-N-C torsion angle being -69.1 (3)°. The two benzene rings form a dihedral angle of 89.94 (15)°. The mol-ecular conformation may be influenced by a weak intra-molecular C-H⋯O hydrogen bond which generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O and weak C-H⋯O hydrogen bonds, forming chains propagating along the b axis. Weak C-H⋯N hydrogen bonds connect the chains into a two-dimensional network parallel to (011). The crystal studied was an inversion twin, the ratio of components being 0.7 (1):0.3 (1).

| S-EPMC3344598 | 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

4-(2-Nitro-benzene-sulfonamido)pyri-dinium trifluoro-acetate.

Project description:In the title compound, C(11)H(10)N(3)O(4)S(+)·C(2)F(3)O(2) (-), the dihedral angle between the benzene ring and the pyridinium ring is 88.7 (4)°. In the crystal structure, a network of N-H⋯O, C-H⋯O and C-H⋯F hydrogen bonds links the constituent ions. One O atom of the nitro group is disordered over two positions, with site-occupancy factors of 0.57 (2) and 0.43 (2).

| S-EPMC2962089 | biostudies-literature

2-Benzene-sulfonamido-3-methyl-butyric acid.

Project description:In the crystal structure of the title compound, C(11)H(15)NO(4)S, two independent mol-ecules are present per asymmetric unit; they are dimerized through O-H?O hydrogen bonds between their carb-oxy groups to generate R(2) (2)(8) loops. An intra-molecular N-H?O link in one of the mol-ecules closes an S(5) ring. The dimers are linked by N-H?O and C-H?O hydrogen bonds to form a three-dimensional network. The C atoms of the isopropyl group of one of the mol-ecules are disordered over two orientations in a 3:1 ratio.

| S-EPMC3435689 | 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