Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[Amino-(azido)-meth-ylidene]-4-methyl-benzene-sulfonamide.

ABSTRACT: In the title mol-ecule, C(8)H(10)N(5)O(2)S, the amino-(azido)-methyl and p-toluene-sulfonyl moieties are inclined almost at right angles with respect to each other, making a dihedral angle of 83.49?(6)°. An intra-molecular N-H?O hydrogen bond gives rise to the formation of six-membered ring with graph-set motif S(6). In the crystal, inter-molecular N-H?O hydrogen bonding is responsible for the formation of dimers about inversion centers, which are linked through another N-H?O inter-action along the b axis.

SUBMITTER: Mahmood A

PROVIDER: S-EPMC3213580 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-[Amino-(azido)-meth-ylidene]-4-methyl-benzene-sulfonamide.

Mahmood Ayyaz A Khan Islam Ullah IU Arshad Muhammad Nadeem MN Ahmed Jamil J

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the title mol-ecule, C(8)H(10)N(5)O(2)S, the amino-(azido)-methyl and p-toluene-sulfonyl moieties are inclined almost at right angles with respect to each other, making a dihedral angle of 83.49 (6)°. An intra-molecular N-H⋯O hydrogen bond gives rise to the formation of six-membered ring with graph-set motif S(6). In the crystal, inter-molecular N-H⋯O hydrogen bonding is responsible for the formation of dimers about inversion centers, which are linked through another N-H⋯O inter-action along ...[more]

PMID: 22091157

Similar Datasets

5-Amino-2-methyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(7)H(10)N(2)O(2)S, a benzoic acid derivative, inter-molecular N-H?O inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC2977214 | biostudies-literature

2-Amino-4-methyl-benzene-sulfonamide.

Project description:In the crystal of the title compound, C(7)H(10)N(2)O(2)S, the mol-ecules are linked by two strong N-H?O hydrogen bonds. The mol-ecular structure is stabilized by an intra-molecular N-H?O hydrogen bond. The C/S/N plane makes a dihedral angle of 69.7?(2)° with the aromatic ring plane.

| S-EPMC2970282 | biostudies-literature

4-[(4-Meth-oxy-benzyl-idene)amino]-benzene-sulfonamide.

Project description:The title Schiff base compound, C(14)H(14)N(2)O(3)S, is non-planar, with a dihedral angle of 24.16?(7)° between the benzene rings. In the crystal, N-H?O and N-H?N hydrogen bonds link the mol-ecules into a layer parallel to (011). Intra- and inter-layer C-H?O inter-actions and ?-? inter-actions [centroid-centroid distances = 3.8900?(9) and 3.9355?(8)?Å] are also present.

| S-EPMC3379209 | biostudies-literature

4-{[4-(Di-methyl-amino)-benzyl-idene]amino}-benzene-sulfonamide.

Project description:The title Schiff base compound, C15H17N3O2S, is non-planar with a dihedral angle of 69.88?(4)° between the planes of the benzene rings. In the crystal, pairs of N-H?N hydrogen bonds, between the sulfonamide nitro-gen-H atom and the azomethine N atom, link the mol-ecules into inversion dimers, forming R 2 (2)(16) ring motifs. These dimers are linked by N-H?O hydrogen bonds, between the sulfonamide nitro-gen-H atom and one sulfonamide O atom, forming sheets lying parallel to (100). Within the sheets there are weak parallel slipped ?-? inter-actions involving inversion-related benzene-sulfonamide rings [centroid-centroid distance = 3.8800?(9)?Å; normal distance = 3.4796?(6)?Å; slippage = 1.717?Å].

| S-EPMC4051049 | biostudies-literature

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

Project description:In the title compound, C(14)H(15)NO(3)S, the dihedral angle between the aromatic rings is 59.39?(14)° and the C-S-N-C torsion angle is -71.4?(2)°. In the crystal, a supra-molecular chain running along the b axis with a C(4) graph set is formed via N-H?O hydrogen bonds.

| S-EPMC3050146 | biostudies-literature

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

Project description:In the title compound, C(14)H(15)NO(3)S, the geometry around the S atom of the SO(2) group is distorted tetra-hedral. The meth-oxy- and methyl-substituted aromatic rings are oriented at a dihedral angle of 71.39?(9)°. Inter-molecular N-H?O hydrogen bonds form inversion dimers, which stabilize the crystal structure.

| S-EPMC3009290 | biostudies-literature

N-(4-Meth-oxy-benzo-yl)-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C15H15NO4S, the dihedral angle between the aromatic rings is 80.81?(1)° and the dihedral angle between the planes defined by the S-N-C=O fragment and the sulfonyl benzene ring is 86.34?(1)°. In the extended structure, dimers related by a crystallographic twofold axis are connected by pairs of both N-H?O hydrogen bonds and C-H?O inter-actions, which generate R 2 (2)(8) and R 2 (2)(14) loops, respectively. A weak aromatic ?-? stacking inter-action is also observed [centroid-centroid separation = 3.7305?(3)?Å].

| S-EPMC3998343 | biostudies-literature

N-(3-Meth-oxy-benzo-yl)-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C15H15NO4S, the dihedral angle between the methyl- and meth-oxy-substituted benzene rings is 88.99?(12)°. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, adjacent mol-ecules form inversion-related dimers through strong N-H?O hydrogen bonds, generating R 2 (2)(8) loops. The dimers are further connected through C-H?O inter-actions that form C(8) chains parallel to (001). Mol-ecules are also connected through other C-H?O hydrogen bonds along the b axis, forming additional C(8) chains. Two aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.6150?(1) and 3.6837?(1)?Å] generate a three-dimensional architecture.

| S-EPMC3793736 | biostudies-literature

N-(3-Meth-oxy-benzo-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C15H15NO4S, the dihedral angle between the benzene rings is 88.87?(1)°. In the crystal, adjacent mol-ecules form inversion dimers through pairs of strong N-H?O hydrogen bonds, generating R 2 (2)(8) loops. Two C-H?? inter-actions and an aromatic ?-? inter-action [centroid-centroid separation = 3.8191?(1)?Å] are also observed.

| S-EPMC3793760 | 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??ar-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

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