Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C13H13NO3S, the dihedral angle between the benzene rings is 64.15 (7)° and the C-S-N-C torsion angle is -57.18 (12)°. An intra-molecular N-H⋯O hydrogen bond closes an S(5) ring. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(8) chains propagating in [100]. Weak C-H⋯π inter-actions are also observed.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3914092 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Mohamed Shaaban K SK Akkurt Mehmet M Kariuki Benson M BM Ali Ali M AM Albayati Mustafa R MR

Acta crystallographica. Section E, Structure reports online 20131214 Pt 1

In the title compound, C13H13NO3S, the dihedral angle between the benzene rings is 64.15 (7)° and the C-S-N-C torsion angle is -57.18 (12)°. An intra-molecular N-H⋯O hydrogen bond closes an S(5) ring. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(8) chains propagating in [100]. Weak C-H⋯π inter-actions are also observed. ...[more]

PMID: 24526996

Similar Datasets

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-(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

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

Project description:In the title compound, C(13)H(13)NO(2)S, the conformation of the N-H bond is anti to the ortho-methyl group on the aniline ring, in contrast to the syn conformation observed with respect to the ortho-chloro group in N-(2-chloro-phen-yl)benzene-sulfonamide. The dihedral angle between the two benzene rings is 61.5 (1)°. Mol-ecules are linked into chains running along the a axis by N-H⋯O hydrogen bonds.

| S-EPMC2960504 | biostudies-literature

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

Project description:In the title mol-ecule, C(10)H(15)NO(3)S, the S atom is bonded in a distorted tetra-hedral geometry. In the crystal structure, inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds connect the mol-ecules to form a two-dimensional network parallel to (100). The 2-methyl-propan-1-ol group is disordered over two orientations with occupancies of 0.570?(3) and 0.430?(3).

| S-EPMC3009078 | biostudies-literature

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

Project description:In the title compound, C(14)H(15)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment has gauche torsion angles with respect to the S=O bonds. Further, the conformation of the N-H bond is anti to the 3-methyl group in the aniline benzene ring. The mol-ecule is bent at the N atom with a C-SO(2)-NH-C torsion angle of 56.7?(3)°. The dihedral angle between the benzene rings is 83.9?(1)°. In the crystal, inter-molecular N-H?O hydrogen bonds pack the mol-ecules into a supra-molecular structure.

| S-EPMC2972154 | biostudies-literature

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

Project description:In the title compound, C(14)H(15)NO(2)S, the dihedral angle between the aromatic rings is 49.7?(1)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

| S-EPMC2971770 | biostudies-literature

4-Methyl-N-(4-methyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(14)H(15)NO(2)S, the two aromatic rings enclose a dihedral angle of 70.53 (10)°. A weak intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC2983966 | biostudies-literature

N-[4-(4-Fluoro-phen-yl)-5-hy-droxy-methyl-6-isopropyl-pyrimidin-2-yl]-N-methyl-methane-sulfonamide.

Project description:In the title compound, C(16)H(20)FN(3)O(3)S, the pyrimidine and benzene rings are oriented at a dihedral angle of 38.8 (3)°. An intra-molecular C-H⋯O hydrogen bond occurs. The crystal structure is stabilized by O-H⋯N hydrogen bonds. In addition, C-H⋯O inter-actions are also present.

| S-EPMC3239065 | biostudies-literature

(4-Hy-droxy-3,5-di-methyl-phen-yl)(phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C15H14O2, the dihedral angle between the benzene and phenyl rings is 61.27?(8)°. In the crystal, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into chains extending along the c-axis direction.

| S-EPMC3884333 | biostudies-literature

4-{4-[(E)-(2-Hy-droxy-phen-yl)imino-methyl]phen-oxy}benzene-1,2-di-carbo-nitrile.

Project description:The asymmetric unit of the title compound, C(21)H(13)N(3)O(2), contains two independent mol-ecules with a similar structure. In one mol-ecule, the central benzene ring is oriented with respect to the terminal benzene rings at 27.23?(7) and 67.96?(7)°; in the other mol-ecule, the corresponding dihedral angles are 12.42?(7) and 64.55?(7)°. In both molecules, there is a short O-H?N interaction involving the OH group and the adjacent N atom. In the crystal, there are O-H?N hydrogen bonds, and C-H?O and N-H?O interactions linking the molecules to form a three-dimensional network. ?-? stacking between the pyridine and benzene rings and between the benzene rings [centroid-centroid distances = 3.989?(2), 3.705?(2) and 3.607?(2)?Å] may further stabilize the structure. A weak C-H?? inter-action is present in the crystal.

| S-EPMC3297294 | 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