Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(4-Bromo-phen-yl)-2-(phenyl-sulfon-yl)ethanone.

ABSTRACT: The overall conformation of the title mol-ecule, C(14)H(11)BrO(3)S, is L-shaped, as seen in the value of the dihedral angle formed between the terminal benzene rings of 75.44?(13)°. The presence of C-H?O inter-actions leads to the formation of linear supra-molecular chains along the a-axis direction in the crystal structure. These are connected into supra-molecular arrays in the ab plane via C-H?? contacts.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3201297 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-(4-Bromo-phen-yl)-2-(phenyl-sulfon-yl)ethanone.

Abdel-Aziz Hatem A HA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

The overall conformation of the title mol-ecule, C(14)H(11)BrO(3)S, is L-shaped, as seen in the value of the dihedral angle formed between the terminal benzene rings of 75.44 (13)°. The presence of C-H⋯O inter-actions leads to the formation of linear supra-molecular chains along the a-axis direction in the crystal structure. These are connected into supra-molecular arrays in the ab plane via C-H⋯π contacts. ...[more]

PMID: 22064893

Similar Datasets

1-(4-Methyl-phen-yl)-2-(phenyl-sulfon-yl)ethanone.

Project description:In the title compound, C(15)H(14)O(3)S, the benzene and phenyl rings make a dihedral angle of 33.56 (16)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into a layer parallel to the ab plane.

| S-EPMC3343995 | biostudies-literature

1-(4-Fluoro-phen-yl)-2-(phenyl-sulfon-yl)ethanone.

Project description:In the title compound, C(14)H(11)FO(3)S, the unit comprising the ethanone and 4-fluoro-phenyl groups is essentially planar, with an r.m.s. deviation of 0.0084 (2) Å for the ten non-H atoms, and it makes a dihedral angle of 37.31 (10)° with the phenyl ring. In the crystal, mol-ecules are linked by pairs of weak C-H⋯O hydrogen bonds into inversion dimers with R(2) (2)(16) graph-set motifs. The dimers are stacked along the b axis through further C-H⋯O hydrogen bonds.

| S-EPMC3379257 | biostudies-literature

(Z)-1-(4-Methyl-phen-yl)-2-(phenyl-sulfon-yl)ethanone oxime.

Project description:The mol-ecule of the title compound, C(15)H(15)NO(3)S, has a twisted U-shaped conformation: the twist occurs at the central C-S(=O)(2)-C-C-C unit and the benzene ring makes a dihedral angle of 28.74?(7)° with the phenyl ring. The S-C-C=N torsion angle is -88.95?(13)°. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds generate R(2) (2)(6) loops, and C-H?O hydrogen bonds connect the dimers into a three-dimensional network.

| S-EPMC3414300 | biostudies-literature

(1E)-1-(3-Bromo-phen-yl)ethanone 2,4-di-nitro-phenyl-hydrazone.

Project description:The title compound, C(14)H(11)BrN(4)O(4), contains 3-bromo-phenyl and 2,4-dinitro-phenyl groups on opposite sides of a hydrazone unit and crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the two ring systems in each mol-ecule are 2.0 (1) and 2.5 (4)°. Weak C-H⋯O hydrogen bonds and weak π-π stacking inter-actions [centroid-centroid distance = 3.7269 (14) Å] help to establish the packing. Intra-molecular N-H⋯O hydrogen bonds are also observed. On one of the rings, the Br atom is disordered over two equivalent positions of the phenyl ring [occupancy ratio 0.8734 (10):0.1266 (10).

| S-EPMC3008979 | biostudies-literature

1-(1-Benzofuran-2-yl)-2-(phenyl-sulfon-yl)ethanone.

Project description:The overall mol-ecular conformation of the title compound, C(16)H(12)O(4)S, is elongated, the dihedral angle formed between the benzofuran (r.m.s. deviation = 0.018?Å) and benzene rings being 24.81?(6)°. Both sulfonyl O atoms lie to one side of the S-bound benzene ring, and the carbonyl and furan O atoms are syn to each other. Supra-molecular arrays parallel to (101) sustained by C-H?O contacts feature in the crystal packing.

| S-EPMC3201267 | biostudies-literature

2-Bromo-1-(3-nitro-phen-yl)ethanone.

Project description:In the title compound, C(8)H(6)BrNO(3), there are two mol-ecules, A and B, in the asymmetric unit. The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6?(4) (A) and 2.8?(3) (B), and 0.8?(8) (A) and 5.5?(8)° (B), respectively. An extensive array of weak C-H?O hydrogen bonds, ?-? ring stacking [centroid-centroid distances = 3.710?(5) and 3.677?(5)?Å] and short non-hydrogen Br?O and O?Br inter-molecular inter-actions [3.16?(6)and 3.06?(8)?Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110. These inter-actions give rise to a variety of cyclic graph-set motifs and form inter-connected sheets in the three-dimensional structure.

| S-EPMC3050415 | biostudies-literature

2-Bromo-1-(4-methoxy-phen-yl)ethanone.

Project description:The title compound, C(9)H(9)BrO(2), prepared by the reaction of 4-methoxy-acetophenone and cupric bromide, , is approximately planar (r.m.s. deviation 0.0008 Å). In the crystal, weak inter-molecular aromatic C-H⋯O(carbon-yl) hydrogen-bonding inter-actions result in a one-dimensional chain structure.

| S-EPMC2969964 | biostudies-literature

N'-(4-Bromo-phenyl-sulfon-yl)isonicotino-hydrazide.

Project description:The title compound, C(12)H(10)BrN(3)O(3)S, crystallizes with two crystallographically independent mol-ecules in the asymmetric unit. The dihedral angles between the two six-membered rings in the mol-ecules are 34.1?(3) and 45.1?(2)°. In the crystal structure, mol-ecules are connected via N-H?O and N-H?N hydrogen bonding.

| S-EPMC2977211 | biostudies-literature

4-Bromo-meth-yl-1-phenyl-sulfon-yl-1H-indole.

Project description:In the title mol-ecule, C(15)H(12)BrNO(2)S, the indole mean plane and phenyl ring are nearly orthogonal to each other, forming a dihedral angle of 88.19 (13)°. The Br atom is disordered over two close positions with occupancies of 0.56 (4) and 0.44 (4). The crystal packing exhibits weak inter-molecular C-H⋯π inter-actions.

| S-EPMC2960915 | biostudies-literature

1-(4-Bromo-phen-yl)-2-(2-chloro-phen-oxy)ethanone.

Project description:In the title compound, C14H10BrClO2, a twofold halogenated derivative of phenyl-ated phenyl-oxyethanone, the least-squares planes defined by the C atoms of the aromatic rings subtend an angle of 71.31 (17)°. In the crystal, C-H⋯O contacts connect the mol-ecules into chains along the b-axis direction.

| S-EPMC3589050 | 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