Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Methyl-N-phenyl-benzene-sulfonamide.

ABSTRACT: In the title compound, C(13)H(13)NO(2)S, the dihedral angle between the aromatic rings is 68.4?(1)°. In the crystal, the molecules are linked into inversion dimers by pairs of N-H?O hydrogen bonds. The unit cell of this compound was reported previously [Oh et al. (1985 ?). Chung. Kwa. Yong. (Chung. J. Sci.), 12, 67] but no atomic coordinates were established in the earlier study.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2969678 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Methyl-N-phenyl-benzene-sulfonamide.

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

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

In the title compound, C(13)H(13)NO(2)S, the dihedral angle between the aromatic rings is 68.4 (1)°. In the crystal, the molecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds. The unit cell of this compound was reported previously [Oh et al. (1985 ▶). Chung. Kwa. Yong. (Chung. J. Sci.), 12, 67] but no atomic coordinates were established in the earlier study. ...[more]

PMID: 21583088

Similar Datasets

4-Methyl-N-(4-methyl-phenyl-sulfon-yl)-N-phenyl-benzene-sulfonamide.

Project description:The whole mol-ecule of the title compound, C20H19NO4S2, is generated by twofold rotational symmetry. The N atom is located on the twofold rotation axis and has a trigonal-planar geometry. It is bonded by two S atoms of two symmetry-related 4-methyl-phenyl-sulfonyl groups and by the C atom of the phenyl ring, which is bis-ected by the twofold rotation axis. The benzene and phenyl rings are oriented at a dihedral angle of 51.48 (5)° while the pendant benzene rings are inclined to one another by 87.76 (9)°. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3998411 | biostudies-literature

4-Chloro-2-methyl-N-phenyl-benzene-sulfonamide.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(13)H(12)ClNO(2)S, with similar conformations. The orientations of the ortho-methyl groups in the sulfonyl benzene rings are in the direction of the N-H bonds of the sulfonamide groups. In the crystal, the mol-ecules are each linked into centrosymmetric dimers through N-H?O hydrogen bonds and packed into a layered structure diagonally in the bc plane.

| S-EPMC2968641 | biostudies-literature

2-Amino-N-(4-methyl-phenyl-sulfon-yl)-N-phenyl-benzene-sulfonamide.

Project description:In the title mol-ecule, C(19)H(18)N(2)O(4)S(2), the phenyl ring makes dihedral angles of 33.99 (2) and 43.70 (3)° with the two methyl-substituted benzene rings. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2960949 | biostudies-literature

4-Methyl-N-[(S)-1-phenyl-eth-yl]benzene-sulfonamide.

Project description:In the title compound, C(15)H(17)NO(2)S, the dihedral angle between the aromatic rings is 14.47 (8)°. The mol-ecule is bent at the N atom, with a C-SO2-NH-C torsion angle of 79.06 (13)°. In the crystal structure, the sulfonamide groups are hydrogen bonded via N-H⋯O links, forming chains of mol-ecules along the crystallographic b axis. π-π inter-actions [centroid-centroid distance = 3.81 (3) Å] also occur.

| S-EPMC3007974 | biostudies-literature

Crystal structures of 4-meth-oxy-N-(4-methyl-phenyl)benzene-sulfonamide and N-(4-fluoro-phenyl)-4-meth-oxy-benzene-sulfonamide.

Project description:Crystal structures of two N-(ar-yl)aryl-sulfonamides, namely, 4-meth-oxy-N-(4-methyl-phen-yl)benzene-sulfonamide, C14H15NO3S, (I), and N-(4-fluoro-phen-yl)-4-meth-oxy-benzene-sulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzene-sulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N-H⋯O hydrogen bonds form infinite C(4) chains extended in [010], and inter-molecular C-H⋯πar-yl inter-actions link these chains into layers parallel to the ab plane. The crystal structure of (II) features N-H⋯O hydrogen bonds forming infinite one dimensional C(4) chains along [001]. Further, a pair of C-H⋯O inter-molecular inter-actions consolidate the crystal packing of (II) into a three-dimensional supra-molecular architecture.

| S-EPMC4645005 | biostudies-literature

4-(3-Methyl-5-phenyl-1H-pyrazol-1-yl)benzene-sulfonamide.

Project description:With respect to the planar five-membered ring of the title compound, C(16)H(15)N(3)O(2)S, the phenyl ring is aligned at 47.0?(1)° and the phenyl-ene ring at 37.6?(1)°. The amino group has the N atom in a pyramidal geometry; the group is a hydrogen-bond donor to the sulfonyl O atom of one mol-ecule and to the pyrazole N atom of another mol-ecule, resulting in the formation of a layer parallel to the bc plane.

| S-EPMC3200729 | biostudies-literature

N-(2-Chloro-2-nitro-1-phenyl-prop-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(16)H(17)ClN(2)O(4)S, the dihedral angle between the phenyl and benzene rings is 19.4 (2)°. The crystal packing is stabilized by inter-molecular N-H⋯O hydrogen bonds, as well as by intra- and inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2960443 | biostudies-literature

N-(4-Amino-pyrimidin-5-yl)-4-methyl-N-(4-methyl-phenyl-sulfon-yl)benzene-sulfonamide.

Project description:In the title compound, C18H18N4O4S2, the mean planes passing through the tosyl benzene rings form dihedral angles of 48.42 (9) and 15.1 (1)° with the amino-pyrimidine ring. In the crystal, mol-ecules associate via N-H⋯N and N-H⋯O hydrogen bonds, forming extended hydrogen-bonded sheets that lie parallel to the bc plane. The N-H⋯N hydrogen bonds propagate along the b-axis direction, while the N-H⋯O hydrogen bonds propagate along the c-axis direction.

| S-EPMC3588960 | biostudies-literature

4-Nitro-N-phenyl-benzene-sulfonamide.

Project description:In the title compound, C(12)H(10)N(2)O(4)S, the dihedral angle between the aromatic rings is 36.19?(18)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into C(4) chains running along the a axis.

| S-EPMC3470227 | biostudies-literature

4-Chloro-N-phenyl-benzene-sulfonamide.

Project description:In the crystal of the title compound, C(12)H(10)ClNO(2)S, the asymmetric unit contains two independent mol-ecules. The N-C bonds in the C-SO(2)-NH-C segments have gauche torsions with respect to the S=O bonds. The mol-ecules are twisted at the S atoms with C-SO(2)-NH-C torsion angles of -53.8?(3) and -63.4?(3)° in the two mol-ecules. The benzene rings are tilted relative to each other by 69.1?(1) and 82.6?(1)°. The dihedral angle between the sulfonyl benzene rings of the two independent mol-ecules is 23.7?(2)°. The crystal structure features inversion-related dimers linked by N-H?O hydrogen bonds.

| S-EPMC3089100 | 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