Browse
Submit Data
Databases
API
Help

Dataset Information

35 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Taher A

PROVIDER: S-EPMC3588960 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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-(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

N-(2-Amino-pyridin-3-yl)-4-methyl-N-(4-methyl-phenyl-sulfon-yl)benzene-sulfonamide.

Project description:The title compound, C(19)H(19)N(3)O(4)S(2), was prepared by the reaction of 2,3-diamino-pyridine with tosyl chloride in a mixture of dichloro-methane-pyridine as solvent. In the crystal, mol-ecules associate via pairs of N-H?N hydrogen bonds, forming a centrosymmetric eight-membered {?HNCN}(2) synthon. The dihedral angles between the amino-pyridine ring and the tosyl benzene rings are 50.01?(6) and 32.01?(4)°.

| S-EPMC3344082 | biostudies-other

4-Methyl-N-[(E)-4-methyl-1-(4-methyl-phenyl-sulfon-yl)-1,2-dihydropyridin-2-yl-idene]benzene-sulfonamide.

Project description:The reaction of 2-(amino-meth-yl)pyridine and 4-toluene-sulfonyl chloride in CH(2)Cl(2) at pH 8 led to the title compound, C(20)H(20)N(2)O(4)S(2). The aromatic rings are almost perpendicular to each other and the dihedral angles between the aromatic ring planes are 74.33?(9) (central pyridine versus benzene ring of the tosyl group bonded to the imine functionality), 73.77?(6) (pyridine versus benzene ring of the tosyl group bonded to pyridinic N atom) and 79.83?(9)° (benzene rings of tosyl groups). In the crystal structure, inter-molecular aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.6274?(14)?Å] help to consolidate the packing.

| S-EPMC3007380 | 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-(2,3-Dimethyl-phen-yl)-4-methyl-N-(4-methyl-phenyl-sulfon-yl)benzene-sulfonamide.

Project description:In the title compound, C(22)H(23)NO(4)S(2), the dihedral angles between the dimethyl-phenyl ring and the two methyl-phenyl rings are 41.19?(15) and 20.50?(17)°; the dihedral angle between the methyl-phenyl rings is 48.11?(14)°. The C-N-S-C torsion angles are -87.6?(2) and 77.43?(18)°. The only possible directional inter-actions in the crystal are very weak C-H?? inter-actions and very weak ?-? stacking between parallel methyl-phenyl rings [centroid-to-centroid separation = 4.010?(2)?Å and slippage = 1.987?Å].

| S-EPMC3470371 | biostudies-other

4-Amino-N-(6-chloro-5-methoxy-pyrimidin-4-yl)benzene-sulfonamide.

Project description:In the title compound, C(11)H(11)ClN(4)O(3)S, the S atom is bonded in a distorted tetra-hedral geometry, by two O atoms, a C atom of the benzene ring and an amino N atom. The essentially planar pyrimidine ring [maximum deviation = 0.020?(1)?Å] forms a dihedral angle of 87.57?(5)° with the benzene ring. In the crystal structure, pairs of mol-ecules are linked by inter-molecular N-H?O hydrogen bonds to generate centrosymmetric R(2) (2)(8) ring motifs. In addition, mol-ecules are linked into a three-dimensional extended network by inter-molecular N-H?N, N-H?O and C-H?O hydrogen bonds.

| S-EPMC2979666 | 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

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

Crystal structure of N-{[3-bromo-1-(phenyl-sulfon-yl)-1H-indol-2-yl]meth-yl}benzene-sulfonamide.

Project description:In the title compound, C21H17BrN2O4S2, the indole ring system subtends dihedral angles of 85.96 (13) and 9.62 (16)° with the planes of the N- and C-bonded benzene rings, respectively. The dihedral angles between the benzene rings is 88.05 (17)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O and C-H⋯O hydrogen bonds and an aromatic π-π stacking [centroid-to-centroid distance = 3.503 (2) Å] inter-action. In the crystal, short Br⋯O [2.9888 (18) Å] contacts link the mol-ecules into [010] chains. The chains are cross-linked by weak C-H⋯π inter-actions, forming a three-dimensional network.

| S-EPMC4647446 | 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