Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Kelesoglu Z

PROVIDER: S-EPMC3007974 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

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

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

Project description:In the title compound, C(15)H(17)NO(3)S, the two aromatic rings make a dihedral angle of 69.42?(9)° with each other and the bridging C-N-S-C torsion angle is 65.76?(16)°. Weak intra-molecular C-H?O inter-actions may affect the mol-ecular conformation. Two neighbouring mol-ecules generate a hydrogen-bonded dimer about a center of inversion through a pair of inter-molecular N-H?O inter-actions, forming an R(2) (2)(8) ring motif. Furthermore, two inter-molecular C-H?? inter-actions contribute to the stability of the crystal packing.

| S-EPMC3006737 | biostudies-literature

(S)-N-[1-(5-Benzyl-sulfan-yl-1,3,4-oxa-diazol-2-yl)-2-phenyl-eth-yl]-4-methyl-benzene-sulfonamide.

Project description:The title compound, C(24)H(23)N(3)O(3)S(2), crystallizes with two independent mol-ecules in the asymmetric unit. They differ essentially in the orientation of the tolyl rings, between which there is π-π stacking (centroid-centroid distance = 3.01 Å). The absolute configuration was confirmed by the determination of the Flack parameter [x = 0.008 (9)]. In the crystal, mol-ecules are connected by two classical N-H⋯N hydrogen bonds and two weak but very short C-H⋯O(sulfon-yl) inter-actions, forming layers lying parallel to the bc plane.

| S-EPMC3247610 | biostudies-literature

4-{2-[(Z)-(5-Methyl-2-fur-yl)methyl-idene-amino]-eth-yl}benzene-sulfonamide.

Project description:In the title compound, C(14)H(16)N(2)O(3)S, the dihedral angle between the phenyl and 5-methyl-furan groups is 54.89 (14)° and the C=N bond assumes a trans conformation. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) ring motifs. The dimers are inter-linked by N-H⋯N hydrogen bonds, resulting in the formation of infinite chains extending along the b axis. The packing is consolidated by weak C-H⋯π inter-actions.

| S-EPMC3008043 | biostudies-literature

N-[2-(3,4-Dimeth-oxy-phen-yl)eth-yl]-N-methyl-benzene-sulfonamide.

Project description:In the title compound, C(17)H(21)NO(4)S, the phenyl and dimeth-oxy-phenyl rings are almost perpendicular to each other, making a dihedral angle of 82.57 (5)°. The structure is stabilized by inter-molecular C-H⋯O inter-actions and the packing is further enhanced by C-H ⋯π inter-actions.

| S-EPMC3297930 | 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

N,N-Bis(2-hy-droxy-eth-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound C(11)H(17)NO(4)S, an intra-molecular O-H?O hydrogen bond forms an S(8) ring and determines the conformation of the bis-(2-hy-droxy-eth-yl) segment of the mol-ecule, holding the two CH(2)CH(2)OH groups close to coplanar (r.m.s. deviation = 0.185?Å). In the crystal, O-H?O hydrogen bonds link the mol-ecules into zigzag chains along the b axis. Weaker additional C-H?O and C-H?? contacts generate a three dimensional network, with mol-ecules stacked along the b-axis direction.

| S-EPMC3515243 | biostudies-literature

N-(7-Eth-oxy-1H-indazol-4-yl)-4-methyl-benzene-sulfonamide.

Project description:The mol-ecule of the title heterocyclic compound, C(16)H(17)N(3)O(3)S, is bent at the S atom with an C-SO(2)-NH-C torsion angle of 80.17?(8)°. The phenyl substituent at the S atom is rotated out of the plane of the 1H-indazole ring [inter-planar angle = 46.24?(8)°]. In the crystal, inter-molecular N-H?N and N-H?O hydrogen bonds build up a ribbon developing parallel to the b-axis direction. C-H?O hydrogen bonds link these ribbons, forming a layer parallel to the bc plane.

| S-EPMC3120551 | biostudies-literature

N-(2-Hy-droxy-1,1-dimethyl-eth-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title mol-ecule, C(11)H(17)NO(3)S, the S atom has a distorted tetra-hedral geometry [maximum deviation: O-S-O = 119.08 (9)°]. In the crystal, mol-ecules are connected by inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming layers of mol-ecules aligned parallel to (110). The 2-methyl-propan-1-ol group of the mol-ecule is disordered over two positions with an 0.592 (4):0.408 (4) occupancy ratio.

| S-EPMC3051577 | 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

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