Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(3-Methyl-benzo-yl)benzene-sulfonamide.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(13)NO(3)S, contains three independent mol-ecules in which the dihedral angles between the sulfonyl and benzoyl benzene rings are 83.3?(2), 84.4?(2) and 87.6?(2)°. In the crystal, mol-ecules are linked into chains running along the a axis via N-H?O hydrogen bonds.

SUBMITTER: Suchetan PA

PROVIDER: S-EPMC3344466 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(3-Methyl-benzo-yl)benzene-sulfonamide.

Suchetan P A PA Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20120406 Pt 5

The asymmetric unit of the title compound, C(14)H(13)NO(3)S, contains three independent mol-ecules in which the dihedral angles between the sulfonyl and benzoyl benzene rings are 83.3 (2), 84.4 (2) and 87.6 (2)°. In the crystal, mol-ecules are linked into chains running along the a axis via N-H⋯O hydrogen bonds. ...[more]

PMID: 22590228

Similar Datasets

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

Project description:The asymmetric unit of the title compound, C(15)H(15)NO(3)S, contains two independent mol-ecules. The conformations of the N-C bonds in the C-SO(2)-NH-C(O) segments have gauche torsions with respect to the SO bonds. Further, the mol-ecules are twisted at the S atoms with torsion angles of -53.1?(2) and 61.2?(2)° in the two mol-ecules. The dihedral angles between the sulfonyl benzene rings and the -SO(2)-NH-C-O segments are 86.0?(1) and 87.9?(1)°. Furthermore, the dihedral angles between the sulfonyl and the benzoyl benzene rings are 88.1?(1) and 83.5?(1)° in the two mol-ecules. In the crystal, mol-ecules are linked by N-H?O(S) hydrogen bonds.

| S-EPMC2984015 | biostudies-literature

2-Methyl-N-(2-methyl-benzo-yl)benzene-sulfonamide.

Project description:In the title compound, C(15)H(15)NO(3)S, the 2-methyl-phenyl ring bonded to the sulfonyl group is disordered with site-occupation factors of 0.75:0.25. The dihedral angles between the two aromatic rings are 67.6?(1) and 69.2?(1)° for the major and the minor occupied sites, respectively. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of N-H?O hydrogen bonds.

| S-EPMC3007270 | biostudies-literature

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

Project description:In the title compound, C(15)H(15)NO(3)S, the conformation of the N-H bond in the C-SO(2)-NH-C(O) segment is anti to the C=O bond. Further, the conformation of the C=O bond is syn to the ortho-methyl group in the benzoyl ring. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 87.1?(1)° and that between the sulfonyl and the benzoyl benzene rings is 58.2?(1)°. In the crystal structure, mol-ecules are linked by pairs of N-H?O(S) hydrogen bonds, forming inversion dimers.

| S-EPMC2979502 | biostudies-literature

Crystal structures of N-(3-fluoro-benzo-yl)benzene-sulfonamide and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide.

Project description:The crystal structures of two N-(aryl-sulfon-yl)aryl-amides, namely N-(3-fluoro-benzo-yl)benzene-sulfonamide, C13H10FNO3S, (I), and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide, C14H12FNO3S, (II), are described and compared with related structures. The dihedral angle between the benzene rings is 82.73 (10)° in (I) compared to 72.60 (12)° in (II). In the crystal of (I), the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions, resulting in a three-dimensional grid-like architecture, while C-H⋯O inter-actions lead to one-dimensional ribbons in (II). The crystals of both (I) and (II) feature strong but non-structure-directing N-H⋯O hydrogen bonds with R 2 (2)(8) ring motifs. The structure of (I) also features π-π stacking inter-actions.

| S-EPMC4910323 | biostudies-literature

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

Project description:In the title compound, C(14)H(12)ClNO(3)S, the N-H bond in the C-SO(2)-NH-C(O) segment is anti to the C=O bond. Further, the C=O bond and the meta-Cl atom in the benzoyl ring are also anti to each other. The dihedral angle between the sulfonyl and the benzoyl benzene rings is 72.4?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC3239113 | biostudies-literature

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

Project description:In the title compound, C(14)H(12)ClNO(3)S, the conformation of the N-H bond in the C-SO(2)-NH-C(O) segment is anti to the C=O bond. The two aromatic rings are tilted relative to each other by 57.7?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O(S) hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC3050156 | biostudies-literature

N-(3-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide.

Project description:In the title compound, C(14)H(12)N(2)O(5)S, the conformation between the N-H group and the ortho-nitro group in the sulfonyl benzene ring is syn and that between the C=O and meta-methyl groups in the benzoyl ring is anti. The mol-ecule is twisted at the S-N bond with a torsion angle of 64.3?(2)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 75.73?(7)° and that between the sulfonyl and benzoyl benzene rings is 89.5?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O(S) hydrogen bonds.

| S-EPMC3275215 | biostudies-literature

N-(4-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(14)H(12)N(2)O(5)S, contains two independent mol-ecules. The dihedral angles between the aromatic rings are 82.03?(9) and 79.47?(8)° in the two independent mol-ecules. In the crystal, the two mol-ecules in the asymmetric unit are linked into dimers via pairs of N-H?O(S) hydrogen bonds to generate C(4) chains.

| S-EPMC3297299 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(14)H(12)ClNO(3)S, contains two independent mol-ecules. The conformations of the N-C bonds in the C-SO(2)-NH-C(O) segments have gauche torsions with respect to the S=O bonds. The mol-ecules are twisted at the S atoms with torsion angles of -54.2?(2) and 63.8?(2)° in the two mol-ecules. The dihedral angles between the sulfonyl benzene rings and the -SO(2)-NH-C-O segments are 85.0?(1) and 87.0?(1)°. Furthermore, the dihedral angles between the sulfonyl and benzoyl benzene rings are 89.4?(1) and 82.4?(1)° in the two mol-ecules. In the crystal, mol-ecules are linked by N-H?O(S) hydrogen bonds.

| S-EPMC3007381 | biostudies-literature

4-Methyl-N-(4-nitro-benzo-yl)benzene-sulfonamide.

Project description:In title compound, C(14)H(12)N(2)O(5)S, the dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 81.5?(2)° and that between the sulfonyl and the benzoyl benzene rings is 89.8?(1)°. In the crystal, mol-ecules are linked into chains along the b axis via inter-molecular N-H?O hydrogen bonds. C-H?O inter-actions are also observed.

| S-EPMC3100041 | 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