Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Chaithanya U

PROVIDER: S-EPMC3589054 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Chaithanya U U Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20121130 Pt 12

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. ...[more]

PMID: 23476290

Similar Datasets

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

Project description:In the crystal structure of the title compound, C(12)H(9)Cl(2)NO(2)S, the aromatic rings are aligned at 57.0?(1)°. The mol-ecules form chains via inter-molecular N-H?O hydrogen bonds.

| S-EPMC2959669 | biostudies-literature

2,4-Dichloro-N-(3,5-dichloro-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(12)H(7)Cl(4)NO(2)S, the N-H bond in the C-SO(2)-NH-C segment is syn with respect to the ortho-Cl atom of the sulfonyl-benzene ring and one of the meta-Cl atoms of the aniline ring. The C-SO(2)-NH-C torsion angle is -93.9?(2)°. The benzene rings are tilted relative to each other by 61.9?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3247380 | biostudies-literature

N-(3,5-Dichloro-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(14)H(13)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment has gauche torsions with respect to the S=O bonds. The mol-ecule is bent at the N atom, with an C-SO(2)-NH-C torsion angle of -54.9?(3)°. The two benzene rings are tilted relative to each other by 82.3?(2)°. The mol-ecules are linked into centrosymmetric R(2) (2)(8) motifs by N-H?O hydrogen bonds and C-H?? inter-actions along [100].

| S-EPMC2979206 | biostudies-literature

N-(3,5-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(13)H(11)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the SO bonds. The two benzene rings are tilted by 79.6?(1)° relative to each other. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

| S-EPMC2970379 | biostudies-literature

2,4-Dichloro-N-(3,5-dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the crystal of the title compound, C(14)H(13)Cl(2)NO(2)S, the N-H bond in the C-SO(2)-NH-C segment is syn to one of the meta-methyl groups in the aniline benzene ring and anti to the other. Further, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the S=O bonds. The C-SO(2)-NH-C torsion angle is 54.9?(2)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 82.8?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds. There are also weak C-H?O hydrogen bonds between these dimers.

| S-EPMC3247580 | 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

4-Chloro-N-(3,5-dichloro-phen-yl)-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C(13)H(10)Cl(3)NO(2)S, torsion angle of the C-SO(2)-NH-C group in the mol-ecule is -58.57?(26)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 84.2?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3247457 | biostudies-literature

N-(2,4-Dichloro-phen-yl)benzene-sulfonamide.

Project description:The title compound, C(12)H(9)Cl(2)NO(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The dihedral angles between the two aromatic rings are 70.8?(1) and 74.8?(1)° for the two mol-ecules. The crystal structure features dimers made up of one each of the two asymmetric molecules linked by pairs of N-H?O hydrogen bonds. An intra-molecular N-H?Cl hydrogen bond is also observed in both mol-ecules.

| S-EPMC2980121 | 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

2,4-Dichloro-N-(3,4-dichloro-phen-yl)benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(12)H(7)Cl(4)NO(2)S, the conformation of the N-H bond is syn to the meta-chloro residue in the aniline benzene ring. The two aromatic rings are tilted relative to each other by 68.9?(1)°. N-H?O hydrogen bonds connect the mol-ecules into centrosymmetric dimers.

| S-EPMC2977279 | 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