Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: The asymmetric unit of the title compound, C(14)H(14)ClNO(2)S, contains two independent mol-ecules. The torsion angles of the C-SO(2)-NH-C segments in the two mol-ecules are -76.5 (5) and -48.3 (4)°. The two aromatic rings are tilted relative to each other by 76.6 (2)° in one mol-ecule and 70.7 (2)° in the other. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC3007926 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

Project description:In the crystal of the title compound, C(13)H(12)ClNO(2)S, the N-H bond is anti to the meta-methyl group in the aniline ring. The C-SO(2)-NH-C torsion angle is -57.6?(2)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 84.7?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3120465 | 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?? 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 ?-? inter-actions [Cg?Cg = 3.6970?(14)?Å]. In (II), N-H?O hydrogen-bonded R22(8) loops are inter-connected via ?-? 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?? inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset ?-? inter-actions [inter-centroid distance = 3.8303?(16)?Å] to form a three-dimensional architecture.

| S-EPMC5418781 | 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

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

Project description:The N-H bond in the title compound, C(14)H(14)ClNO(2)S, the dihedral angle between the two benzene rings is 75.5?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC2980238 | biostudies-literature

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

Project description:In the title compound, C(15)H(16)ClNO(2)S, the C-SO(2)-NH-C torsion angle is 67.45?(17)°. The two aromatic rings are tilted relative to each other by 44.5?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds..

| S-EPMC3201300 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(15)H(16)ClNO(2)S, contains three independent moleules. The conformation of the N-H bonds are anti to the ortho-methyl groups of the sulfonyl benzene rings in all the mol-ecules. The sulfonyl and the aniline benzene rings are tilted relative to each other by 43.0?(2), 37.0?(2) and by 46.0?(1)° in the three mol-ecules. In the crystal, inter-molecular N-H?O hydrogen bonds link each of the mol-ecules into centrosymmetric dimers.

| S-EPMC3247308 | biostudies-literature

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

Project description:In the title compound, C(15)H(16)ClNO(2)S, the C-SO(2)-NH-C torsion angle is -61.15?(16)°. The sulfonyl and aniline benzene rings are tilted relative to each other by 38.8?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3247307 | 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-(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

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