Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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).

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2979417 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Gowda B Thimme BT Foro Sabine S Nirmala P G PG Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20100508 Pt 6

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). ...[more]

PMID: 21579382

Similar Datasets

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

Project description:The structure of the title compound, C(14)H(15)NO(2)S, shows the sulfonamide N atom to be approximately perpendicular to the plane through the S-bound benzene ring [the N-S-C-C torsion angle is -87.4?(3)°] and to lie to the opposide side of this ring to the two sulfonamide O atoms. The N-bound benzene ring is splayed out with respect to the rest of the mol-ecule so that overall, the mol-ecule adopts a twisted conformation. The dihedral angle between the two benzene rings is 64.5?(3)°. In the crystal, supra-molecular chains aligned along the b axis are formed via N-H?O hydrogen bonds.

| S-EPMC3007249 | biostudies-literature

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

Project description:In the title compound, C(16)H(19)NO(2)S, the dihedral angle between the aromatic rings is 47.2?(2)°. The crystal structure features zigzag C(4) chains linked by N-H?O hydrogen bonds.

| S-EPMC2979129 | biostudies-literature

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

Project description:In the title compound, C(14)H(13)Cl(2)NO(2)S, the C-SO(2)-NH-C torsion angle is -60.84?(18). The sulfonyl and the aniline benzene rings are tilted relative to each other by 66.4?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3201316 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(15)H(17)NO(2)S, the conformations of the N-C bond in the C-SO(2)-NH-C segment are trans and gauche, respectively, with respect to the S=O bonds. The mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of -61.8?(2)°. Furthermore, the conformation of the N-H bond and the 3-methyl group in the aniline benzene ring are nearly anti to each other. The dihedral angle between the benzene rings is 47.8?(1)°. In the crystal, N-H?O hydrogen bonds link the molecules into chains.

| S-EPMC2969044 | 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-(2,4-dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(14)H(14)ClNO(2)S, the N-H bond points away from the dimethyl-phenyl ring plane. The mol-ecule is twisted at the S atom, with a C-SO(2)-NH-C torsion angle of -75.5?(2)°. The two aromatic rings are tilted relative to each other by 63.3?(1)°. The Cl atom on the chloro-benzene ring is disordered over two sites with site-occupation factors of 0.59?(3) and 0.41?(3), respectively. The crystal structure features inversion-related dimers linked by inter-molecular N-H?O hydrogen bonds.

| S-EPMC3120421 | biostudies-literature

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

Project description:In the title compound, C(14)H(14)ClNO(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 S atom with a C-SO(2)-NH-C torsion angle of -54.9?(2)°. The sulfonyl and aniline benzene rings are rotated relative to each other by 75.7?(1)°. An intra-molecular N-H?Cl hydrogen bond is present. In the crystal, inter-molecular N-H?O hydrogen-bonding inter-actions are observed and the mol-ecules are packed into chains parallel to the b axis.

| S-EPMC2979443 | biostudies-literature

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

Project description:In the title compound, C(14)H(14)ClNO(2)S, the two aromatic rings are tilted relative to each other by 34.7?(1)°. In the crystal, the mol-ecules form zigzag chains along the c axis via inter-molecular N-H?O hydrogen bonds.

| S-EPMC3120438 | biostudies-literature

4-Chloro-N-(2,6-dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(14)H(14)ClNO(2)S, the amido H atom orients itself away from both the ortho-methyl groups in the adjacent aromatic ring. The mol-ecule is twisted at the S atom with an C-SO(2)-NH-C torsion angle of -69.9?(2)°. The two aromatic rings are tilted relative to each other by 31.9?(1)°. In the crystal, the mol-ecules are packed into zigzag chains along the b axis via inter-molecular N-H?O hydrogen bonds.

| S-EPMC3120512 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(14)H(14)ClNO(2)S, contains two independent mol-ecules, which are twisted at the S atoms with C-SO(2)-NH-C torsion angles of -69.4?(7)° and 66.0?(8)°. The sulfonyl and the anilino benzene rings are tilted relative to each other by 49.0?(4) and 61.7?(3)° in the two mol-ecules. In the crystal, the mol-ecules are linked into chains by N-H?O hydrogen bonds.

| S-EPMC3213544 | 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