Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: The title compound, C(15)H(14)O(3), has been obtained from the reaction of 2,4-dihy-droxy-acetophenone, potassium carbonate and benzyl bromide. The remaining hy-droxy group is involved in an intra-molecular O-H?O hydrogen bond. In the crystal, inter-molecular C-H?O contacts occur.

SUBMITTER: Ma YT

PROVIDER: S-EPMC3238887 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Ma Ya-Tuan YT Yang Chong-Lin CL Li Zhen-Shuo ZS Li Zhong-Qiang ZQ Ding Juan-Ning JN

Acta crystallographica. Section E, Structure reports online 20111109 Pt 12

The title compound, C(15)H(14)O(3), has been obtained from the reaction of 2,4-dihy-droxy-acetophenone, potassium carbonate and benzyl bromide. The remaining hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond. In the crystal, inter-molecular C-H⋯O contacts occur. ...[more]

PMID: 22199740

Similar Datasets

1-[4-(3,5-Difluoro-benz-yloxy)-2-hy-droxy-phen-yl]ethanone.

Project description:The title compound, C(15)H(12)F(2)O(3), has been obtained by the reaction of 2,4-dihy-droxy-lacetonephenone, potassium carbonate and 3,5-difluoro-benzyl bromide. The hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond in each of the two independent mol-ecules in the asymmetric unit. The dihedral angle between the aromatic rings is 0.5 (2)° in one molecule and 1.9 (2)° in the other. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into tetra-meric units aligned perpendicular to b.

| S-EPMC3007899 | biostudies-literature

1-(3-Benzyl-4,6-dibenz-yloxy-2-hy-droxy-phen-yl)ethanone.

Project description:The title compound, C(29)H(26)O(4), is essentially planar in the acetophenone portion that includes both the hy-droxy and a benz-yloxy O atoms, with an r.m.s. deviation of 0.0311?Å. The other two substituents inter-sect the plane at 70.45?(3) and 59.55?(4)°. In the molecule there is an intramolecular O-H?O hydrogen bond. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, as well as C-H?? and ?-stacking inter-actions, with centroid-centroid distances 3.6570?(2)?Å.

| S-EPMC3470220 | biostudies-literature

1-[2-(3,5-Difluoro-benz-yloxy)phen-yl]ethanone.

Project description:In the title compound, C(15)H(12)F(2)O(2), the dihedral angle between the aromatic rings is 70.43 (4)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC3008130 | biostudies-literature

(2E)-3-[3-(Benz-yloxy)phen-yl]-1-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(22)H(18)O(3), an intra-molecular O-H?O hydrogen bond stabilizes the mol-ecular structure, forming an S(6) ring motif. The central benzene ring forms a dihedral angle of 64.74?(5)° with the phenyl ring and a dihedral angle of 5.58?(5)° with the terminal benzene ring. In the crystal, mol-ecules are linked into columns along the a axis via inter-molecular C-H?O hydrogen bonds. C-H?? inter-actions involving the centroid of the hy-droxy-substituted benzene ring further stabilize the crystal structure.

| S-EPMC3120523 | 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-[4-(4-Hy-droxy-phen-yl)piperazin-1-yl]ethanone.

Project description:In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7?(1)°. In the crystal, mol-ecules are linked via O-H?O hydrogen bonds, forming chains propagating along [010].

| S-EPMC3884329 | biostudies-literature

1-(4-Benz-yloxy-5-meth-oxy-2-nitro-phen-yl)ethanone.

Project description:In the mol-ecule of the title compound, C(16)H(15)NO(5), the aromatic rings are oriented at a dihedral angle of 74.89 (3)°. Intra-molecular C-H⋯O inter-actions result in the formation of a seven-membered ring. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into chains along the b axis.

| S-EPMC2977694 | biostudies-literature

1-(2-Hy-droxy-4,5-dimeth-oxy-phen-yl)ethanone.

Project description:The mol-ecular structure of the title compound, C10H12O4, contains an intra-molecular hydrogen bond between the phenol and acetyl substituents. In the crystal, C-H?? inter-actions act between the mol-ecules in a cyclic manner to stabilize stacks of mol-ecules along the b axis. Several C-H?O inter-actions are present between the stacks.

| S-EPMC3588311 | biostudies-literature

1-(3-tert-Butyl-4-hy-droxy-phen-yl)ethanone.

Project description:The title compound, C(12)H(16)O(2), is approximately planar (r.m.s. deviation = 0.030?Å), apart from two methyl groups of the tert-butyl unit [deviations of the C atoms = 1.140?(2) and -1.367?(1)?Å]. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into hexa-meric rings with R(6) (6)(48) graph-set motifs.

| S-EPMC3007371 | biostudies-literature

1-(2-Hy-droxy-3,5-dimeth-oxy-phen-yl)ethanone.

Project description:In title compound, C(10)H(12)O(4), all of the non-H atoms lie approximately in a plane with the largest deviation being 0.061?(2)?Å. An intra-molecular O-H?O hydrogen bond generates an S(6) ring motif. No classical inter-molecular hydrogen bonding occurs, with only van der Waals forces stabilizing the crystal structure.

| S-EPMC3254463 | 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