Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: The torsion angle of the C-SO(2)-NH-C moiety in the title compound, C(13)H(10)Cl(3)NO(2)S, is 50.4 (2)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 69.6 (1)°. The crystal structure is stabilized by N-H⋯O hydrogen bonds, linking the mol-ecules into zigzag chains parallel to the b axis.

SUBMITTER: Rodrigues VZ

PROVIDER: S-EPMC3247434 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Rodrigues Vinola Z VZ Foro Sabine S Gowda B Thimme BT Shakuntala K K

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The torsion angle of the C-SO(2)-NH-C moiety in the title compound, C(13)H(10)Cl(3)NO(2)S, is 50.4 (2)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 69.6 (1)°. The crystal structure is stabilized by N-H⋯O hydrogen bonds, linking the mol-ecules into zigzag chains parallel to the b axis. ...[more]

PMID: 22220052

Similar Datasets

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

Project description:The title compound, C(13)H(11)Cl(2)NO(2)S, contains two molecules in the asymmetric unit in which the dihedral angles between the benzene rings are 76.0 (1) and 79.9 (1)°. The conformations of the N-H bonds with respect to their adjacent ortho-chlorine atoms are syn. In the crystal, N-H⋯O hydrogen bonds link the molecules into dimers.

| S-EPMC3011474 | biostudies-literature

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

Project description:In the title compound, C(13)H(10)Cl(3)NO(2)S, the N-C bond in the C-SO(2)-NH-C segment forms trans and gauche torsion angles with respect to the S=O bonds. Further, the N-H bond in the C-SO(2)-NH-C segment is anti to the meta-Cl atom in the anilino benzene ring and nearly syn with respect to the ortho-methyl group in the sulfonyl benzene ring. The C-SO(2)-NH-C torsion angle is -49.4 (2)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 54.6 (1)°. In the crystal, mol-ecules are linked into chains along the c-axis direction by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC3247351 | 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

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

Project description:In the title compound, C(12)H(7)Cl(4)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the S=O bonds. Further, the N-H bond in the C-SO(2)-NH-C segment is syn with respect to the ortho-Cl atoms in the aniline and sulfonyl benzene rings. The C-SO(2)-NH-C torsion angle is -51.98 (18)°. The sulfonyl and aniline benzene rings are tilted by 67.7 (1)° relative to each other. An intra-molecular N-H⋯Cl hydrogen bond occurs.

| S-EPMC3247310 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(15)H(16)ClNO(2)S, contains two independent moleules. The conformation of the N-H bonds are anti to the ortho-methyl groups in the sulfonyl benzene rings of both the mol-ecules, while the N-H bonds are anti to the ortho- and meta-methyl groups in the aniline ring of one of the mol-ecules and syn in the other. Furthermore, the torsion angles of the C-SO(2)-NH-C segments in the two mol-ecules of are -66.8 (3) and 70.3 (3)°. The sulfonyl and the aniline benzene rings are oriented at angles of 44.1 (1) and 39.7 (1)° in the two mol-ecules. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into dimers.

| S-EPMC3201417 | biostudies-literature

Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [Cg⋯Cg = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded R22(8) loops are inter-connected via π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H⋯π inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

| S-EPMC5418781 | biostudies-literature

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

Project description:In the title compound, C(14)H(13)Cl(2)NO(2)S, the dihedral angle between the two aromatic rings is 70.4 (1)°. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯Cl hydrogen bond.

| S-EPMC3011480 | biostudies-literature

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

Project description:In the title compound, C(14)H(13)Cl(2)NO(2)S, the dihedral angle between the aromatic rings is 62.21 (7)° and the C-S-N-C group adopts a gauche conformation [torsion angle = 60.22 (17)°]. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [010]. A short inter-molecular Cl⋯O contact of 3.1115 (17) Å is seen.

| S-EPMC3435760 | 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

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