Browse
Submit Data
Databases
API
Help

Dataset Information

46 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 | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Chloro-2-methyl-N-(4-methyl-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 20100818 Pt 9

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. ...[more]

PMID: 21588675

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

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

Project description:In the title compound, C(13)H(12)ClNO(2)S, the conformation of the N-H bond is anti to the 3-chloro group in the aniline benzene ring. The dihedral angle between the two benzene rings is 73.7 (1)°. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC2979908 | biostudies-literature

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

Project description:The mol-ecule of the title compound, C(13)H(12)ClNO(2)S, is bent at the S atom with a C-SO(2)-NH-C torsion angle of -54.8 (2)°. The dihedral angle between the two aromatic rings is 71.6 (1)°. An intra-molecular N-H⋯Cl hydrogen bond is observed. The crystal structure features inversion-related dimers formed by pairs of N-H⋯O hydrogen bonds.

| S-EPMC2980162 | 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

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

Project description:In the title compound, C(13)H(11)Cl(2)NO(2)S, the conformations of the N-C bonds in the C-SO(2)-NH-C segment have gauche torsions with respect to the S=O bonds. Further, the conformation of the N-H bond is syn to the ortho-methyl group in the sulfonyl benzene ring. The torsion angle of the C-SO(2)-NH-C segment in the mol-ecule is 55.0 (2)°. The two benzene rings are tilted relative to each other by 67.0 (1)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into infinite column-like chains.

| S-EPMC3007535 | 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-(2-methyl-phen-yl)-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(14)H(14)ClNO(2)S, the two aromatic rings are tilted relative to each other by 45.8 (1)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur.

| S-EPMC2969047 | 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-[5-(4-Chloro-phen-yl)-3-methyl-1H-pyrazol-1-yl]benzene-sulfonamide.

Project description:In the title compound, C(16)H(14)ClN(3)O(2)S, the dihedral angle between the benzene and pyrazole rings is 52.75?(2)°, while that between the pyrazole and 4-chloro-phenyl rings is 54.0?(3)°. The terminal sulfonamide group adopts an approximately tetra-hedral geometry about the S atom with a C-S-N angle of 108.33?(10)°. In the crystal, pairs of N-H?N hydrogen bonds lead to the formation of inversion dimers. These dimers are linked via a second pair of N-H?N hydrogen bonds and C-H?O interactions, forming a two-dimensional network lying parallel to the bc plane. The two-dimensional networks are linked via C-H?Cl interactions, forming a three-dimensional structure.

| S-EPMC3569817 | biostudies-other

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