Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-N-(3-chloro-phen-yl)benzene-sulfonamide.

ABSTRACT: In the crystal of the title compound, C(12)H(9)Cl(2)NO(2)S, the mol-ecule is twisted at the S atom with a C-SO(2)-NH-C torsion angle of -58.4 (3)°. Furthermore, the N-H bond in this segment is anti to the meta-chloro group. The dihedral angle between the aromatic rings is 77.1 (1)°. The crystal structure features inversion-related dimers linked by N-H⋯O hydrogen bonds.

SUBMITTER: Shakuntala K

PROVIDER: S-EPMC3099951 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

Project description:In the crystal structure of the title compound, C(12)H(10)ClNO(2)S, the N-H bond is trans to one of the S=O bonds. The two aromatic rings form a dihedral angle of 65.4?(1)°, compared with a value of 49.1?(1)° in N-(2-chloro-phen-yl)-benzene-sulfonamide. The mol-ecules are connected by inter-molecular N-H?O hydrogen bonds into chains running along the b axis.

| S-EPMC2960722 | biostudies-literature

4-Chloro-N-(3-chloro-phen-yl)-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C(13)H(11)Cl(2)NO(2)S, the conformation of the N-H bond in the C-SO(2)-NH-C segment is anti to the meta-Cl atom on the aniline ring and syn to the ortho-methyl group on the sulfonyl-benzene ring. Furthermore, the torsion angle of the C-SO(2)-NH-C segment in the mol-ecule is 80.1?(3)°. The two benzene rings are tilted relative to each other by 70.9?(1)°. In the crystal, pairs of inter-molecular N-H?O hydrogen bonds link the mol-ecules via inversion-related dimers into infinite column-like chains.

| S-EPMC3006774 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(13)H(11)Cl(2)NO(2)S, the conformations of the N-C bond in the C-SO(2)-NH-C segment are trans and gauche with respect to the S=O bonds. The C-S(O(2))-N(H)-C torsion angle is 74.8 (4)°, indicating that the mol-ecule is bent at the S atom. In the crystal structure, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. An intramolecular N-H⋯Cl inter-action is also present.

| S-EPMC2968972 | biostudies-literature

N-(2-Benzoyl-4-chloro-phen-yl)-4-chloro-benzene-sulfonamide.

Project description:The title compound, C(19)H(13)Cl(2)NO(3)S, is an N-aryl-sulfonyl derivative of 2-amino-5-chloro-benzophenone. The compound is biologically active and shows potential to be utilized as an inhibitor of CCR2 and CCR9 receptor functions. In the crystal structure, there is an intra-molecular N-H⋯O hydrogen bond between the amide and carbonyl groups. The benzoyl and 4-chloro-phenyl groups form intra-molecular and inter-molecular face-to-face contacts, with a dihedral angle of 10.6 (1)° between their mean planes in both cases, and centroid-centroid separations of 4.00 (1) and 4.25 (1) Å for the intra- and inter-molecular inter-actions, respectively.

| S-EPMC2961035 | 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

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

Project description:In the title compound, C(12)H(8)Cl(3)NO(2)S, the two aromatic rings are tilted relative to each other by 56.5?(1)°. The crystal structure features centrosymmetric dimers in which mol-ecules are linked by N-H?O hydrogen bonds.

| S-EPMC3050220 | 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

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

Project description:The title compound, C(14)H(14)ClNO(2)S, contains two molecules in the asymmetric unit with different conformations. The C-SO(2)-NH-C torsion angles are 65.3?(2) and 54.6?(2)° and the aromatic rings are tilted relative to each other by 59.3?(1) and 45.8?(1)° in the two mol-ecules. In the crystal, inversion symmetry results in dimers linked by pairs of N-H?O hydrogen bonds for both molecules.

| S-EPMC3120369 | biostudies-literature

4-Chloro-N-(3,4-dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(14)H(14)ClNO(2)S, the angle between the sulfonyl and aniline benzene rings is 65.5?(1)°. The crystal structure features inversion dimers linked by pairs of N-H?O hydrogen bonds. The dimethyl-phenyl ring is disordered over two different orientations approximately related by a 180° rotation about the C-N bond, with occupancies of 0.643?(6) and 0.357?(6).

| S-EPMC2979417 | 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