Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2-Formyl-phen-yl)-4-methyl-N-[(4-methyl-phen-yl)sulfon-yl]benzene-sulfon-amide.

ABSTRACT: In the title compound, C21H19NO5S2, the dihedral angles between the formyl-phenyl ring and the two methyl-phenyl rings are 29.3?(3) and 28.9?(3)°, respectively; the dihedral angle between the methyl-phenyl rings is 48.4?(2)°. The C-N-S-C torsion angles are -74.1?(2) and -105.4?(2)°. In the crystal, molecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers.

SUBMITTER: Kim SG

PROVIDER: S-EPMC4051026 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(2-Formyl-phen-yl)-4-methyl-N-[(4-methyl-phen-yl)sulfon-yl]benzene-sulfon-amide.

Kim Sung-Gon SG

Acta crystallographica. Section E, Structure reports online 20140517 Pt 6

In the title compound, C21H19NO5S2, the dihedral angles between the formyl-phenyl ring and the two methyl-phenyl rings are 29.3 (3) and 28.9 (3)°, respectively; the dihedral angle between the methyl-phenyl rings is 48.4 (2)°. The C-N-S-C torsion angles are -74.1 (2) and -105.4 (2)°. In the crystal, molecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers. ...[more]

PMID: 24940243

Similar Datasets

N-(4-Hydroxy-phen-yl)benzene-sulfon-amide.

Project description:The title compound, C(12)H(11)NO(3)S, synthesized by the reaction of benzene sulfonyl chloride with para-amino-phenol, is of inter-est as a precursor to biologically active sulfur-containing heterocyclic compounds. The structure is stabilized by N-H?O and O-H?O hydrogen bonds.

| S-EPMC2979209 | biostudies-literature

2-Methyl-3-[(4-methyl-phen-yl)sulfon-yl-oxy]-2-{[(4-methyl-phen-yl)sulfon-yloxy]meth-yl}propyl 4-methyl-benzene-sulfonate.

Project description:The title mol-ecule, C(26)H(30)O(9)S(3), adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32?(10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28?(10) and 78.81?(7)°]. The crystal packing is dominated by C-H?O contacts and ?-? inter-actions [ring centroid distance = 3.6902?(12)?Å].

| S-EPMC3152050 | biostudies-literature

5-Methyl-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazol-3-yl 4-methyl-benzene-sulfonate.

Project description:In the title compound, C(18)H(18)N(2)O(5)S(2), the tolyl rings are oriented at a dihedral angle of 16.15?(11)° with respect to one another. The 5-methyl-1H-pyrazol-3-ol ring is roughly planar (r.m.s. deviation = 0.0231?Å) and subtends angles of 73.82?(8) and 89.85?(8)° with the tolyl rings. In the crystal, very weak ?-? inter-actions between tolyl groups, with centroid-centroid distances of 4.1364?(19) and 4.0630?(16)?Å, together with a C-H?? contact generate a three-dimensional network.

| S-EPMC3393995 | biostudies-literature

1,3-Bis{[(4-methyl-phen-yl)sulfon-yl]-oxy}propan-2-yl 4-methyl-benzene-sulfonate.

Project description:In the title sulfonate derivative, C(24)H(26)O(9)S(3), all atoms apart from those of one of the 4-methyl-benzene-sulfonate residues lie approximately in a disc; the dihedral angles between the approximately orthogonal benzene ring and those in the plane are 74.53 (9) and 67.79 (11)°. In the crystal, mol-ecules are consolidated into the three-dimensional architecture by C-H⋯O inter-actions. One of the 4-methyl-benzene-sulfonate residues is disordered over two almost parallel positions; the major component refined to a site-occupancy factor of 0.918 (2).

| S-EPMC3297952 | biostudies-literature

N-(2-Formyl-phen-yl)-4-meth-oxy-N-(4-meth-oxy-phenyl-sulfon-yl)benzene-sulfonamide.

Project description:In the title compound, C(21)H(19)NO(7)S(2), the dihedral angles between the formyl-phenyl ring and the two meth-oxy-phenyl rings are 33.87 (9) and 41.00 (10)°. The S atoms have a distorted tetra-hedral geometry and the N atom shows a trigonally planar [r.m.s. deviation = 0.0437 (13) Å] coordination. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3238957 | biostudies-literature

(2Z)-2-{[N-(2-Formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

Project description:In the title compound, C(25)H(22)N(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8?(2) and 81.4?(2)°, respectively, with the formyl-benzene and methyl-benzene rings. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(11) chains along the b axis. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.927?(2)?Å].

| S-EPMC3344039 | biostudies-literature

N-(2-Formyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(13)H(11)NO(3)S, the two aromatic rings are oriented at an angle of 88.18 (8)°. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds are observed, each of which generates an S(6) ring motif. In the crystal, mol-ecules are linked into C(7) chains along [010] by inter-molecular C-H⋯O hydrogen bonds. The structure is further stabilized by inter-molecular C-H⋯π inter-actions involving the sulfonyl-bound phenyl ring.

| S-EPMC2969910 | biostudies-literature

4-Methyl-N-(4-methyl-phenyl-sulfon-yl)-N-[4-(4-methyl-phen-yl)-1,3-thia-zol-2-yl]benzene-sulfonamide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C24H22N2O4S3. In each, the sulfonamide N atoms reveal nearly a trigonal-planar geometry with two S atoms of the O=S=O groups and one C atom of the thia-zole ring; the angles around the N atoms are between 117.00?(13) and 123.86?(9)°. The methyl-phenyl-sulfonyl groups are in anti conformations, forming dihedral angles of 78.00?(7)/72.53?(5) and 77.09?(6)/71.50?(7)° with the trigonal S-N-S planes in the two mol-ecules. The thia-zole groups are rotated around the C-N bonds and are almost perpendicular to the S-N-S plane [dihedral angles of 78.00?(7)/72.53?(5) and 77.09?(6)/71.50?(7)°]. In the crystal, pairs of C-H?O inter-actions, with the O atoms of the sulfonamide groups as acceptors, link each of the independent mol-ecules into inversion dimers.

| S-EPMC3914048 | biostudies-literature

N-(4-Meth-oxy-benzo-yl)benzene-sulfon-amide.

Project description:In the title compound, C14H13NO4S, the dihedral angle between the aromatic rings is 69.81?(1)°; the dihedral angle between the planes defined by the S-N-C=O segment of the central chain and the sulfonyl benzene ring is 74.91?(1)°. In the crystal, the mol-ecules are linked by weak N-H?O hydrogen bonds into C(4) chains running along [100]. The mol-ecules in adjacent chains are linked by weak C-H?O inter-actions, generating R 2 (2) (16) dimeric pairs. Weak C-H?? inter-actions connect the double chains into (001) sheets.

| S-EPMC3998342 | biostudies-literature

1-Methyl-sulfon-yl-4-nitro-benzene.

Project description:In the title compound, C(7)H(7)NO(4)S, the nitro group is twisted by 10.2?(5) ° out of the plane of the benzene ring. Inversion-related mol-ecules are linked by non-classical C-H?O hydrogen bonds into dimers featuring an R(2) (2)(10) motif.

| S-EPMC2960022 | 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