Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[4-(3-Chloro-prop-oxy)-2-hydroxy-phen-yl]ethanone.

ABSTRACT: The title compound, C(11)H(13)ClO(3), has been obtained in the reaction of 2, 4-dihydroxy-lacetonephenone, potassium carbonate and 1-bromo-3-chloro-hexane. The hydr-oxy group is involved in an intra-molecular O-H?O hydrogen bond. The crystal packing exhibits no significantly short inter-molecular contacts.

SUBMITTER: Ma YT

PROVIDER: S-EPMC2980010 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-[4-(3-Chloro-prop-oxy)-2-hydroxy-phen-yl]ethanone.

Ma Ya-Tuan YT Wang Jing-Jing JJ Liu Xi-Wang XW Yang Sheng-Xiang SX Gao Jin-Ming JM

Acta crystallographica. Section E, Structure reports online 20091204 Pt 1

The title compound, C(11)H(13)ClO(3), has been obtained in the reaction of 2, 4-dihydroxy-lacetonephenone, potassium carbonate and 1-bromo-3-chloro-hexane. The hydr-oxy group is involved in an intra-molecular O-H⋯O hydrogen bond. The crystal packing exhibits no significantly short inter-molecular contacts. ...[more]

PMID: 21580155

Similar Datasets

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-[2-Hy-droxy-4-(prop-2-yn-1-yl-oxy)phen-yl]ethanone.

Project description:In the title compound, C11H10O3, there is an intra-molecular O-H?O hydrogen bond generating an S(6) ring motif. The O atom of the hy-droxy group deviates by 0.0200?(1)?Å from the benzene ring to which it is attached. The propyne group is almost linear, the C-C C angle being 177.83?(15)°, and is almost coplanar with the benzene ring; the C-C-O-C torsion angle being only -1.1?(2)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming infinite C(11) chains running parallel to [103]. These chains are linked by a pair of C-H?O hydrogen bonds, enclosing R 2 (2)(8) inversion dimers, forming a corrugated two-dimensional network lying parallel to (103).

| S-EPMC3914071 | biostudies-literature

1-{2-Hy-droxy-6-[3-(pyrrol-1-yl)prop-oxy]phen-yl}ethanone.

Project description:In the title compound, C(15)H(17)NO(3), the mean planes of the pyrrole and benzene rings form a dihedral angle of 81.92?(7)°. The mol-ecule contains an intra-molecular O-H?O hydrogen bond. In the crystal, weak C-H?? inter-actions link the mol-ecules into chains along [010].

| S-EPMC3344038 | biostudies-literature

1-[4-(2-Chloro-eth-oxy)-2-hy-droxy-phen-yl]ethanone.

Project description:In the title compound, C(10)H(11)ClO(3), obtained by the reaction of 2,4-dihy-droxy-acetophenone, potassium carbonate and 1-bromo-2-chloro-ethane, an intra-molecular O-H?O hydrogen bond occurs.

| S-EPMC3051432 | biostudies-literature

1-[4-(4-Chloro-but-oxy)-2-hy-droxy-phen-yl]ethanone.

Project description:In the title compound, C(12)H(15)ClO(3), the eth-oxy group is nearly coplanar with the benzene ring, making a dihedral angle of 9.03?(4)°, and is involved in an intra-molecular O-H?O hydrogen bond to the neighbouring hy-droxy group.

| S-EPMC3051656 | biostudies-literature

3-Chloro-6-{4-[3-(4-chloro-phen-oxy)prop-yl]piperazin-1-yl}pyridazine.

Project description:In the title compound, C(17)H(20)Cl(2)N(4)O, the piperazine ring adopts a chair conformation and the dihedral angle between the pyridazine ring and the benzene ring is 36.3?(1)°. In the crystal, weak C-H?O and C-H?(N,N) inter-actions help to establish the packing, which also features short inter-molecular Cl?Cl contacts [3.331?(2)?Å].

| S-EPMC2983611 | biostudies-literature

Bis[5-chloro-2-(prop-2-yn-1-yl-oxy)phen-yl]methane.

Project description:The mol-ecule of the title compound, C(19)H(14)Cl(2)O(2), has two benzene rings connected to a methyl-ene C atom, and the rings are aligned at 66.3?(1)°. Inter-molecular C-H?? and ?-? stacking inter-actions are observed in the crystal structure, the centroid-centroid distances between parallel benzene rings being 3.7529?(12) and 3.6201?(12)?Å, respectively.

| S-EPMC3051580 | biostudies-literature

1-[3-(4-Chloro-phen-yl)-5-(4-meth-oxy-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the title compound, C(18)H(17)ClN(2)O(2), the benzene rings form dihedral angles of 6.69 (6) and 74.88 (5)° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5)° with each other. In the crystal, mol-ecules are linked via bifurcated (C,C)-H⋯O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C-H⋯π inter-actions.

| S-EPMC3343987 | biostudies-literature

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

(2E)-1-(3,5-Di-hydroxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C16H14O4, the benzene rings are inclined to one another by 4.91?(7)°. The conformation about the C=O and C=C bonds is trans and cis, respectively. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via O-H?O and C-H?O hydrogen bonds, forming undulating two-dimensional networks lying parallel to (10-1). These networks are linked by further C-H?O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC4011220 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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