Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-2-(2-chloro-benzoyl)phenol.

ABSTRACT: In the title mol-ecule, C13H8Cl2O2, the dihedral angle between the benzene rings is 74.53?(9)°. An intra-molecular O-H?O hydrogen bond leading to a S(6) ring is observed. In the crystal, the mol-ecules are connected into a three-dimensional network by C-H?O and ?-? [inter-centroid distance = 3.6254?(10)?Å] inter-actions.

SUBMITTER: Bushra Begum A

PROVIDER: S-EPMC3790428 | biostudies-other | 2013

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-Chloro-2-(2-chloro-benzoyl)phenol.

Bushra Begum A A Madan Kumar S S Manjunath B C BC Khanum Shaukath Ara SA Lokanath N K NK

Acta crystallographica. Section E, Structure reports online 20130921 Pt 10

In the title mol-ecule, C13H8Cl2O2, the dihedral angle between the benzene rings is 74.53 (9)°. An intra-molecular O-H⋯O hydrogen bond leading to a S(6) ring is observed. In the crystal, the mol-ecules are connected into a three-dimensional network by C-H⋯O and π-π [inter-centroid distance = 3.6254 (10) Å] inter-actions. ...[more]

PMID: 24098247

Similar Datasets

3-Benzoyl-5-chloro-uracil.

Project description:THE DIHEDRAL ANGLE BETWEEN THE PLANES OF TWO AROMATIC RINGS IN THE TITLE COMPOUND [SYSTEMATIC NAME: 3-benzoyl-5-chloro-pyrimidine-2,4(1H,3H)-dione], C(11)H(7)ClN(2)O(3), is 86.79?(6)°. Centrosymmetric dimers formed by N-H?O hydrogen bonds are linked through C-H?O inter-actions, forming a two-dimensional network parallel to (10).

| S-EPMC2968372 | biostudies-literature

Benzoyl-methyl 4-chloro-benzoate.

Project description:The asymmetric unit of the title compound, C(15)H(11)ClO(3), contains three mol-ecules, A, B, and C. Mol-ecules A and B are aligned edge-to-face, whereas mol-ecules B and C are aligned almost parallel to each other. The crystal structure displays C-H⋯π and π-π [centroid-centroid distances of 3.960 (4), 3.971 (4) and 3.971 (4) for mol-ecules A, B and C, respectively] parallel-displaced inter-actions, and C-H⋯O hydrogen bonds.

| S-EPMC2960412 | biostudies-literature

N-Benzoyl-2-chloro-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(13)H(10)ClNO(3)S, the conformation of the 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 73.3?(1)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

| S-EPMC2984022 | biostudies-literature

N-Benzoyl-4-chloro-benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(13)H(10)ClNO(3)S, contains two independent mol-ecules. The mol-ecules have C-S-N-C torsion angles of -70.0?(2) and 61.3?(2)° for mol-ecules 1 and 2, respectively. The dihedral angles between the sulfonyl benzene rings and the -SO(2)-NH-C-O segments are 72.0?(1) and 77.3?(1)° for mol-ecules 1 and 2, respectively, and the dihedral angles between the sulfonyl and the benzoyl benzene rings are 62.8?(1) and 78.6?(1)°, respectively. In the crystal, mol-ecules 1 and 2 are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC2983762 | biostudies-literature

4-Chloro-3-ethyl-phenol.

Project description:The title compound, C8H9ClO, packs with two independent mol-ecules in the asymmetric unit, without significant differences in corresponding bond lengths and angles, with the ethyl group in each oriented nearly perpendicular to the aromatic ring having ring-to-side chain torsion angles of 81.14?(18) and -81.06?(19)°. In the crystal, mol-ecules form an O-H?O hydrogen-bonded chain extending along the b-axis direction, through the phenol groups in which the H atoms are disordered. These chains pack together in the solid state, giving a sheet lying parallel to (001), via an offset face-to-face ?-stacking inter-action characterized by a centroid-centroid distance of 3.580?(1)?Å, together with a short inter-molecular Cl?Cl contact [3.412?(1)?Å].

| S-EPMC4120563 | biostudies-literature

4-Chloro-2,6-dinitro-phenol.

Project description:The aromatic ring of the title compound, C(6)H(3)ClN(2)O(5), is almost planar (r.m.s. deviation = 0.007?Å); one nitro substituent is nearly coplanar with the ring [dihedral angle = 3(1)°], whereas the other is twisted [dihedral angle = 36?(1)°]. The phenol OH group is intra-molecularly hydrogen bonded to the nitro group that is coplanar with the ring, generating an S(6) graph-set motif.

| S-EPMC3011538 | biostudies-literature

N-(2-Benzoyl-4-chloro-phen-yl)-4-chloro-benzene-sulfonamide.

Project description:The title compound, C(19)H(13)Cl(2)NO(3)S, is an N-aryl-sulfonyl derivative of 2-amino-5-chloro-benzophenone. The compound is biologically active and shows potential to be utilized as an inhibitor of CCR2 and CCR9 receptor functions. In the crystal structure, there is an intra-molecular N-H?O hydrogen bond between the amide and carbonyl groups. The benzoyl and 4-chloro-phenyl groups form intra-molecular and inter-molecular face-to-face contacts, with a dihedral angle of 10.6?(1)° between their mean planes in both cases, and centroid-centroid separations of 4.00?(1) and 4.25?(1)?Å for the intra- and inter-molecular inter-actions, respectively.

| S-EPMC2961035 | biostudies-literature

1-Benzoyl-3-chloro-azepan-2-one.

Project description:In the crystal structure of the title compound, C(13)H(14)ClNO(2), inter-molecular C-H?O inter-actions link the mol-ecules into a two-dimensional network.

| S-EPMC2970295 | biostudies-literature

O-4-Chloro-benzoyl diphenyl-seleno-phosphinate.

Project description:The title compound, C(19)H(14)ClO(2)PSe, was obtained in the reaction of the diphenyl-monoseleno-phosphinic acid ammonium salt with 4-chloro-benzoyl chloride. The dihedral angle between the P-bonded aromatic rings is 72.64 (14)°. Packing of the mol-ecules in the crystal is reinforced by π-π stacking inter-actions between two inversion-related 4-chloro-benzene rings [centroid-centroid separation = 4.189 (2) Å] and a C-H⋯O interaction also occurs.

| S-EPMC2968906 | biostudies-literature

2-Benzoyl-4-chloro-aniline thio-semi-carbazone.

Project description:In the title compound, C14H13ClN4S, obtained from a reaction of 2-benzoyl-4-chloro-aniline with thio-semicarbazide in ethanol, the dihedral angle between the aromatic rings is 81.31 (13)°. In the crystal, the mol-ecules are linked by three N-H⋯S hydrogen bonds, forming centrosymmetric rings with set-graph motif R 2 (2)(8) and R 2 (2)(18), and resulting in the formation of a two-dimensional network lying parallel to (010).

| S-EPMC4051094 | 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