Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2-Methyl-phen-yl)-4-nitro-benzene-sulfonamide.

ABSTRACT: In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the planes of the rings is 51.11?(10)°. In the crystal, mol-ecules are linked into inversion dimers through pairs of N-H?O(S) hydrogen bonds.

SUBMITTER: Chaithanya U

PROVIDER: S-EPMC3435801 | biostudies-other | 2012 Sep

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-(2-Methyl-phen-yl)-4-nitro-benzene-sulfonamide.

Chaithanya U U Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20120825 Pt 9

In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the planes of the rings is 51.11 (10)°. In the crystal, mol-ecules are linked into inversion dimers through pairs of N-H⋯O(S) hydrogen bonds. ...[more]

PMID: 22969647

Similar Datasets

N-(3-Methyl-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the benzene rings is 73.64?(7)°. The amide H atom exhibits bifurcated hydrogen bonding: an intra-molecular N-H?O hydrogen bond generates an S(7) motif while in the crystal, N-H?O(S) hydrogen bonds link the mol-ecules into zigzag C(4) chains running along the b axis.

| S-EPMC3435655 | biostudies-literature

N-(2-Methyl-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the benzene rings is 53.44?(14)°. The amide H atom exhibits bifurcated hydrogen bonding: an intra-molecular N-H?O hydrogen bond generates an S(7) motif while in the crystal, N-H?O(S) hydrogen bonds link the mol-ecules into zigzag C(4) chains along the c axis.

| S-EPMC3435676 | biostudies-literature

N-(4-Methyl-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the crystal of the title compound, C(13)H(12)N(2)O(4)S, the conformation of the N-H bond in the -SO(2)-NH- segment is syn to the ortho-nitro group in the sulfonyl benzene ring. The mol-ecule is twisted at the S-N bond with a torsion angle of 76.55?(18)°. The dihedral angle between the planes of the rings is 72.64?(8)°. In the crystal, mol-ecules are linked by pairs of N-H?O(S) hydrogen bonds to form inversion dimers.

| S-EPMC3435757 | biostudies-literature

N-(2-Chloro-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C(12)H(9)ClN(2)O(4)S, the N-H bond in the -SO(2)-NH- segment is syn to both the ortho-nitro group in the sulfonyl-benzene ring and the ortho-Cl atom in the aniline ring. The mol-ecule is twisted at the S-N bond with a torsion angle of 75.0?(2)°. The dihedral angle between the sulfonyl-benzene and aniline rings is 54.97?(11)°. The amide H atom shows bifurcated hydrogen bonding, generating S(7) and C(4) motifs. In the crystal, N-H?O(S) hydrogen bonds link the mol-ecules into chains.

| S-EPMC3415015 | biostudies-literature

N-(3-Chloro-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C(12)H(9)ClN(2)O(4)S, the dihedral angle between the aromatic rings is 73.65?(7)°. The amide H atom shows bifurcated hydrogen bonding, generating an intra-molecular S(7) and an inter-molecular C(4) motif.

| S-EPMC3415016 | biostudies-literature

N-(4-Chloro-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C(12)H(9)ClN(2)O(4)S, the dihedral angle between the aromatic rings is 70.27?(8)°. In the crystal, mol-ecules are linked by pairs of N-H?O(S) hydrogen bonds, forming inversion dimers.

| S-EPMC3415017 | biostudies-literature

N-(4-Chloro-phen-yl)-4-nitro-benzene-sulfonamide.

Project description:In the title compound, C12H9ClN2O4S, the dihedral angle between the benzene rings is 31.4?(2)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into C(4) chains running along the a-axis direction.

| S-EPMC3588256 | biostudies-literature

N-(2,3-Dichloro-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C12H8Cl2N2O4S, the N-C bond in the C-SO2-NH-C segment has gauche torsions with respect to the S=O bonds. Further, the N-H bond is syn to the ortho-nitro group in the sulfonyl benzene ring and also syn to both the ortho- and meta-Cl atoms in the aniline ring. The mol-ecule is twisted at the S-N bond with a torsion angle of 61.15?(18)°. The dihedral angle between the planes of the benzene rings is 68.00?(6)°. The amide H atom exhibits an intra-molecular bifurcated N-H?(O,O) hydrogen bond. In the crystal, pairs of N-H?O(S) hydrogen bonds link the mol-ecules into inversion dimers with R2(2)(8) motifs.

| S-EPMC3588328 | biostudies-literature

N-(2,5-Dimethoxy-phen-yl)-4-nitro-benzene-sulfonamide.

Project description:The title compound, C(14)H(14)N(2)O(6)S, is an inter-mediate for the synthesis of ?-3-adrenergic receptor agonists. The two meth-oxy groups are approximately coplanar with the attached benzene ring [C-O-C-C = -2.7?(4) and 9.4?(4)°]. The dihedral angle between the two aromatic rings is 67.16?(12)°. An intra-molecular N-H?O hydrogen bond is observed. In the crystal, mol-ecules are linked into chains along the c axis by C-H?O hydrogen bonds.

| S-EPMC2977360 | biostudies-literature

N-(3,5-Dichloro-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C12H8Cl2N2O4S, the C-S-N-C torsion angle is 49.34?(18)° and the dihedral angle between the benzene rings is 71.92?(10)°. The amide H atom exhibits bifurcated hydrogen bonding. The N-H bond is syn to the ortho-nitro group enabling the formation of an S(7) loop. In the crystal, pairs of N-H?O(S) hydrogen bonds link the mol-ecules into inversion dimers via R2(2)(8) rings.

| S-EPMC3589054 | 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