Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(5-Chloro-2,4-dihydroxy-phen-yl)-2-(4-ethoxy-phen-yl)ethanone.

ABSTRACT: The structure of the title compound, C(16)H(15)ClO(4), contains aryl rings which are inclined by 75.6?(1)° to each other. It displays intra-molecular O-H?O hydrogen bonding between the 2-hydr-oxy and carbonyl groups, forming a six-membered ring. Furthermore, the 4-hydr-oxy group, acting as a hydrogen-bond donor, is bound to the O atom of the 2-hydr-oxy group of another mol-ecule.

SUBMITTER: Botting NP

PROVIDER: S-EPMC2959265 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(5-Chloro-2,4-dihydroxy-phen-yl)-2-(4-ethoxy-phen-yl)ethanone.

Botting Nigel P NP Slawin Alexandra M Z AM Zhang Qingzhi Q

Acta crystallographica. Section E, Structure reports online 20080927 Pt 10

The structure of the title compound, C(16)H(15)ClO(4), contains aryl rings which are inclined by 75.6 (1)° to each other. It displays intra-molecular O-H⋯O hydrogen bonding between the 2-hydr-oxy and carbonyl groups, forming a six-membered ring. Furthermore, the 4-hydr-oxy group, acting as a hydrogen-bond donor, is bound to the O atom of the 2-hydr-oxy group of another mol-ecule. ...[more]

PMID: 21201224

Similar Datasets

1-(3,4-Dihydroxy-phen-yl)-2-(4-hydroxy-phen-yl)ethanone.

Project description:The title compound, C(14)H(12)O(4), is a deoxy-benzoin derivative in which the dihedral between the carbonyl group and the catechol unit is 5.99?(3)°. The dihedral angle between the two benzene rings is 60.26?(13)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds connect mol-ecules, forming a two-dimensional network. In addition, weak inter-molecular C-H?O hydrogen bonds and C-H?? contacts further stabilize the crystal structure.

| S-EPMC2980131 | biostudies-literature

1-(3,4-Dihydroxy-phen-yl)-2-(4-fluoro-phen-yl)ethanone.

Project description:In the title compound, C(14)H(11)FO(3), the dihedral angle between the aromatic rings is 69.11 (8)°. An intra-molecular O-H⋯O hydrogen bond is present. Inter-molecular O-H⋯O inter-actions help to establish the packing.

| S-EPMC2959813 | biostudies-literature

(5-Bromo-2-chloro-phen-yl)(4-ethoxy-phen-yl)methanone.

Project description:In the title mol-ecule, C(15)H(12)BrClO(2), the two benzene rings form a dihedral angle of 69.30 (3)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into chains propagating along the b axis.

| S-EPMC2971929 | biostudies-literature

2-(4-Chloro-anilino)-1-(4-chloro-phen-yl)ethanone.

Project description:In the title compound, C(14)H(11)Cl(2)NO, the benzene rings form a dihedral angle of 3.14?(6)°. Overall, the mol-ecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054?Å). No significant directional inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3239017 | biostudies-literature

2-Chloro-1-[4-(2,4-difluoro-benz-yl)piperazin-1-yl]ethanone.

Project description:In the title mol-ecule, C(13)H(15)ClF(2)N(2)O, the piperazine ring is in a chair conformation with the 2,4-difluoro-benzyl and chloro-acetyl substituents in equatorial positions.

| S-EPMC3254425 | 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

1-{5-[2-Chloro-5-(trifluoro-meth-yl)phen-yl]thio-phen-2-yl}ethanone.

Project description:In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoro-meth-yl)phenyl and tiophene rings is 54.37 (5)°. The acethyl group is twisted by 8.1 (2)° with respect to the thio-phene ring. The CF(3) group is disordered over two sets of sites with occupations of 0.49 (3) and 0.51 (3). The crystal packing features C-H⋯F and C-H⋯O hydrogen bonds, forming dimers which are connected into chains along the c axis by C-H⋯O hydrogen bonds and C-Cl⋯π [Cl⋯π = 3.415 (1) Å and C-Cl⋯π = 151.56 (5)°] inter-actions. The chains are further connected into layers perpendicular to the a axis by C-H⋯O inter-actions.

| S-EPMC3052071 | biostudies-literature

2-Chloro-1-(4-hy-droxy-phen-yl)ethanone.

Project description:The asymmetric unit of the title compound, C(8)H(7)ClO(2), consists of two independent mol-ecules, with comparable geometries. Both mol-ecules are approximately planar (r.m.s. deviations = 0.040 and 0.064?Å for the 11 non-H atoms). In the crystal, mol-ecules are linked via inter-molecular O-H?O and C-H?O hydrogen bonds into chains two mol-ecules thick along (-101).

| S-EPMC3414342 | biostudies-literature

1-[6-Chloro-4-(2-chloro-phen-yl)-2-methyl-3-quinol-yl]ethanone.

Project description:The title compound, C(18)H(13)Cl(2)NO, features an essentially planar quinoline ring system (r.m.s. deviation = 0.023 Å) with the acetyl [C-C-C-O torsion angle = -78.27 (17)°] and benzene [C-C-C-C torsion angle = 110.11 (14)°] substituents being twisted out of the plane; the dihedral angle formed between the mean planes of these two substituents is 58.01 (8)°. The acetyl O and benzene-bound Cl atoms lie to opposite sides of the mol-ecule. Centrosymmetric aggregates mediated by pairs of C-H⋯O contacts are found in the crystal structure, and these are connected into a two-dimensional array in the (01) plane via Cl⋯O [3.0508 (11) Å] inter-actions.

| S-EPMC3007567 | biostudies-literature

2-[4-Chloro-3-(4-ethoxy-benz-yl)phen-yl]-1,3-dithiane.

Project description:In the title compound, C(19)H(21)ClOS(2), the dithiane ring adopts a chair conformation. The dihedral angle between the benzene rings is 87.88?(4)°. In the crystal, inversion dimmers linked by pairs of C-H?O inter-actions occur.

| S-EPMC2979625 | 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