Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C14H12ClNO4S, the dihedral angle between the chloro- and meth-oxy-substituted benzene rings is 87.40?(1)°. 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 two C-H?O inter-actions that form C(11) chains and R 2 (2)(14) loops. Aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.8574?(1)?Å] are also observed.

SUBMITTER: Suchetan PA

PROVIDER: S-EPMC3793723 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Suchetan P A PA Palakshamurthy B S BS Mamatha G R GR Kumar Vijith V Mohan N R NR Sreenivasa S S

Acta crystallographica. Section E, Structure reports online 20130706 Pt 8

In the title compound, C14H12ClNO4S, the dihedral angle between the chloro- and meth-oxy-substituted benzene rings is 87.40 (1)°. 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 two C-H⋯O inter-actions that form C(11) chains and R 2 (2)(14) loops. Aromatic π-π stacking inter-actions [centroid-centroid separation = 3.8574 (1) Å] are also observed. ...[more]

PMID: 24109310

Similar Datasets

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

Project description:In the title compound, C14H12ClNO4S, the dihedral angle between the aromatic rings is 82.07 (1)° and the dihedral angle between the planes defined by the S-N-C=O fragment and the sulfonyl benzene ring is 82.46 (3)°. In the crystal, the mol-ecules are linked into C(4) chains running along [001] by strong N-H⋯O hydrogen bonds. A C-H⋯O intera-ction reinforces the [001] chains: its graph-set symbol is C(7). The chains are cross-linked into (100) sheets by further C-H⋯O inter-actions as C(6) chains along [001]. The structure also features weak π-π stacking inter-actions [centroid-centroid distances = 3.577 (1) and 3.8016 (1) Å].

| S-EPMC3998348 | 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

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 π-π stacking inter-action is also observed [centroid-centroid separation = 3.7305 (3) Å].

| S-EPMC3998343 | biostudies-literature

N-(5-Chloro-2-meth-oxy-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(13)H(12)ClNO(3)S, the dihedral angle between the two aromatic rings is 73.94?(9)°. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, inter-molecular N-H?O hydrogen bonds connect the mol-ecules to centrosymmetric dimers, forming an R(2) (2)(8) ring motif. The packing is consolidated by C-H?O hydrogen bonds and weak ?-? inter-actions [centroid-centroid distances = 3.81?(3) and 3.81?(3)?Å].

| S-EPMC3009279 | biostudies-literature

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

N-(3-Chloro-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C14H12ClN3O3S, the fused five- and six-membered rings are folded slightly along the common edge, forming a dihedral angle of 3.2?(1)°. The mean plane through the indazole system makes a dihedral angle of 30.75?(7)° with the distant benzene ring. In the crystal, N-H?O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (001).

| S-EPMC3884302 | 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

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

Project description: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.

| S-EPMC2979644 | 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