Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: The asymmetric unit of the title compound, C(13)H(9)Cl(2)NO(3)S, contains two independent mol-ecules. The conformation of the C=O bond is anti to the meta-Cl group in the chloro-benzoyl group of one of the mol-ecules and syn in the other. The dihedral angles between the sulfonyl and benzoyl benzene rings are 77.8?(1) and 83.5?(1)°. In the crystal structure, two pairs of independent mol-ecules are linked into a tetra-mer by N-H?O hydrogen bonds.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2979644 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Gowda B Thimme BT Foro Sabine S Suchetan P A PA Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20100515 Pt 6

The asymmetric unit of the title compound, C(13)H(9)Cl(2)NO(3)S, contains two independent mol-ecules. The conformation of the C=O bond is anti to the meta-Cl group in the chloro-benzoyl group of one of the mol-ecules and syn in the other. The dihedral angles between the sulfonyl and benzoyl benzene rings are 77.8 (1) and 83.5 (1)°. In the crystal structure, two pairs of independent mol-ecules are linked into a tetra-mer by N-H⋯O hydrogen bonds. ...[more]

PMID: 21579432

Similar Datasets

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

Project description:In the crystal structure of the title compound, C(13)H(10)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 dihedral angle between the two benzene rings is 87.5?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O(S) hydrogen bonds.

| S-EPMC2971321 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(13)H(10)ClNO(3)S, contains two independent mol-ecules, the chloro-phenyl ring of one of them being disordered over two orientations with occupancies of 0.836?(2) and 0.164?(2). In one of the independent mol-ecules, the sulfonyl-bound phenyl ring and the chloro-phenyl ring form dihedral angles of 87.3?(1) and 46.8?(1)°, respectively, with the -S-NH-C=O segment, while in the other mol-ecule the corresponding angles are 76.0?(1) and 39.6?(1)°. In the crystal, mol-ecules are linked into tetra-meric units by N-H?O hydrogen bonds.

| S-EPMC2979754 | biostudies-literature

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

Project description:In the structure of the title compound, C(13)H(9)Cl(2)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. The mol-ecule is twisted at the S atom with a torsion angle of 65.7?(2)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 88.5?(1)°, and that between the sulfonyl and the benzoyl benzene rings is 58.0?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC2979439 | biostudies-literature

4-Chloro-N-(4-chloro-benzo-yl)benzene-sulfonamide.

Project description:In the title compound, C(13)H(9)Cl(2)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. The mol-ecule is twisted at the S atom with a torsion angle of 67.5?(3)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 79.0?(1)° and that between the sulfonyl and benzoyl benzene rings is 85.6?(1)°. In the crystal, mol-ecules are linked by N-H?O(S) hydrogen bonds with graph-set descriptor C(4) along the [010] direction.

| S-EPMC2979647 | biostudies-literature

4-Chloro-N-(3-chloro-benzo-yl)benzene-sulfonamide monohydrate.

Project description:In the title compound, C(13)H(9)Cl(2)NO(3)S·H(2)O, the conformation of the C=O bond is syn to the meta-Cl group in the benzoyl ring. The mol-ecules are twisted at the S-N bond with a C-S-N-C torsion angle of 72.9 (2)°. The dihedral angle between the sulfonyl benzene ring and the S-NH-C-O segment is 77.8 (1)° and that between the sulfonyl and benzoyl benzene rings is 80.5 (1)°. In the crystal, mol-ecules are linked into a two-dimensional network parallel to (100) by N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC3006969 | biostudies-literature

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

Project description:In the title compound, C(13)H(9)ClN(2)O(5)S, the N-H bond is trans to the C=O bond. The dihedral angle between the two aromatic rings is 85.4?(1)°. In the crystal, mol-ecules are linked into zigzag C(4) chains along the b axis through N-H?O hydrogen bonds.

| S-EPMC3100054 | 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-(2-Chloro-benzo-yl)-3-nitro-benzene-sulfonamide.

Project description:In the mol-ecule of the title compound, C(13)H(9)ClN(2)O(5)S, the dihedral angle between the two aromatic rings is 84.3?(1)°. In the crystal, mol-ecules are linked into chains via N-H?O(S) hydrogen bonds.

| S-EPMC3275281 | 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

2-Chloro-N-(4-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 dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 89.4?(1)° and that between the sulfonyl and benzoyl benzene rings is 89.1?(2)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC2979447 | 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