Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Hy-droxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one.

ABSTRACT: In the title compound, C(16)H(12)O(4), the benzene ring is twisted at an angle of 12.3?(1)° relative to the 4H-chromene skeleton, and an intramolecular O-H?O hydrogen bond occurs. The meth-oxy group is almost coplanar with the benzene ring [1.5?(1)°]. In the crystal, inversely oriented mol-ecules are arranged in double (A, A') columns, along the b axis, and are linked by a network of inter-molecular O-H?O hydrogen bonds (between A and A') and C-H?? contacts (within A or A'). The 4H-chromene cores are parallel within A or A', but make a dihedral angle of 88.6?(1)° between A and A'.

SUBMITTER: Wera M

PROVIDER: S-EPMC3051573 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Hy-droxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one.

Wera Michał M Serdiuk Ilia E IE Roshal Alexander D AD Błażejowski Jerzy J

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

In the title compound, C(16)H(12)O(4), the benzene ring is twisted at an angle of 12.3 (1)° relative to the 4H-chromene skeleton, and an intramolecular O-H⋯O hydrogen bond occurs. The meth-oxy group is almost coplanar with the benzene ring [1.5 (1)°]. In the crystal, inversely oriented mol-ecules are arranged in double (A, A') columns, along the b axis, and are linked by a network of inter-molecular O-H⋯O hydrogen bonds (between A and A') and C-H⋯π contacts (within A or A'). The 4H-chromene core ...[more]

PMID: 21523104

Similar Datasets

2-(4-Hy-droxy-phen-yl)-3-meth-oxy-4H-chromen-4-one.

Project description:In the title compound, C16H12O4, the substituent benzene ring and meth-oxy group are twisted relative to the 4H-chromene skeleton by 24.1 (1) and 61.3 (1)°, respectively. In the crystal, mol-ecules are connected by classical O-H⋯O and weak C-H⋯O hydrogen bonds, forming chains parallel to [201]. The 4H-chromene ring systems of adjacent mol-ecules are either parallel or inclined at an angle of 28.9 (1)°.

| S-EPMC3685052 | biostudies-literature

5,7-Dihy-droxy-2-(3-hy-droxy-4,5-dimeth-oxy-phen-yl)-6-meth-oxy-4H-chromen-4-one.

Project description:The title compound, C18H16O8, was isolated from the plant Artemisia baldshuanica Krasch et Zarp. The mol-ecule is approximately planar, with the exception of the terminal methyl groups, the C atoms of which devitate from their attached ring planes by 1.243 (5) and 1.168 (5) Å. The dihedral angle between the substituted benzopyran and benzene rings is 5.8 (1)°; this near planarity could be due to conjugation or a packing effect. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds involving the hy-droxy and carbonyl groups, forming hydrogen-bonded chains along [001] and [1-10]. The chains are linked by C-H⋯O inter-actions.

| S-EPMC3629625 | biostudies-literature

Crystal structure of 2-(3,4-di-meth-oxy-phen-yl)-3-hy-droxy-4H-chromen-4-one.

Project description:In the title compound, C17H14O5, the dimeth-oxy-substituted benzene ring is twisted relative to the 4H-chromenon skeleton (r.m.s. deviation = 0.015 Å) by 5.2 (4)°. The C atoms of the meth-oxy groups lie close to the plane of their attached benzene ring [deviations = 0.036 (3) and 0.290 (3)Å for the meta and para substituents, respectively]. An intra-molecular O-H⋯O hydrogen bond closes an S(5) ring. In the cystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R 2 (2)(10) loops and C-H⋯O inter-actions connect the dimers into [010] chains.

| S-EPMC4186158 | biostudies-literature

3-Hy-droxy-2-(4-hy-droxy-phen-yl)-4H-chromen-4-one.

Project description:In the title compound, C(15)H(10)O(4), the benzene ring is twisted at an angle of 20.7 (1)° relative to the 4H-chromene skeleton. In the crystal, adjacent mol-ecules are linked via a network of O-H⋯O and C-H⋯O hydrogen bonds. The mean planes of adjacent 4H-chromene moieties are parallel or oriented at an angle of 20.9 (1)° in the crystal structure.

| S-EPMC3051623 | biostudies-literature

Crystal structure of 2-(2,3-di-meth-oxy-naphthalen-1-yl)-3-hy-droxy-6-meth-oxy-4H-chromen-4-one.

Project description:In the title compound, C22H18O6, the dimeth-oxy-substituted naphthalene ring system is twisted relative to the 4H-chromenon skeleton by 88.96?(3)°. The two meth-oxy substituents are tilted from the naphthalene ring system by 1.4?(4) and 113.0?(2)°, respectively. An intra-molecular O-H?O hydrogen bond closes an S(5) ring motif. In the crystal, pairs of O-H?O hydrogen bonds form inversion dimers with R (2) 2(10) loops and C-H?O inter-actions connect the dimers into [010] chains.

| S-EPMC4645031 | biostudies-literature

4-{[Bis(2-hy-droxy-eth-yl)amino]-meth-yl}-6-meth-oxy-2H-chromen-2-one.

Project description:In the title compound, C(15)H(19)NO(5), an intra-molecular O-H?O hydrogen bond links the hy-droxy-ethyl side chains, forming a seven-membered ring. In the crystal, mol-ecules are linked into chains via O-H?O hydrogen bonds along the b axis. Further, mol-ecules are linked by weak inter-molecular C-H?O and ?-? stacking inter-actions [centroid-centroid distance = 3.707?(4)?Å].

| S-EPMC3414333 | biostudies-literature

4-Hy-droxy-3-[(4-hy-droxy-6,7-dimethyl-2-oxo-2H-chromen-3-yl)(4-oxo-4H-chromen-3-yl)meth-yl]-6,7-dimethyl-2H-chromen-2-one.

Project description:In the title compound, C(32)H(24)O(8), the mol-ecular structure is disordered over two positions with refined site occupancies of 0.8746?(10) and 0.1254?(10). The mean plane of the three chromeno rings make dihedral angles with each other of 65.12?(4), 62.91?(4) and 59.70?(4)° in the major occupancy component and 59.1?(3), 66.1?(3) and 58.8?(3)° in the minor component. Intra-molecular O-H?O hydrogen bonds stabil-ize the mol-ecular structure and the crystal structure is stabilized by weak C-H?? and ?-? inter-actions [centroid-centroid distances 3.496?(6)-3.672?(7)?Å].

| S-EPMC3009289 | biostudies-literature

7-Hy-droxy-6-meth-oxy-2H-chromen-2-one.

Project description:The title compound, C(10)H(8)O(4), is one of the coumarins existing in Morinda citrifolia L (Noni). The chromenone ring system is approximately planar with a maximum deviation of 0.0208?(14)?Å. The meth-oxy group does not deviate from this plane [C-O-C-C torsion angle = -1.5?(3)°], indicating that the whole mol-ecule is almost planar. In the crystal packing, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains. These are further connected by C-H?O hydrogen bonds.

| S-EPMC3007346 | biostudies-literature

Structure of 7-hy-droxy-3-(2-meth-oxy-phen-yl)-2-tri-fluoro-meth-yl-4<i>H</i>-chromen-4-one.

Project description:Herein, the synthesis and crystal structure of 7-hy-droxy-3-(2-meth-oxy-phen-yl)-2-tri-fluoro-meth-yl-4H-chromen-4-one, C17H11F3O4, are reported. This isoflavone is used as a starting material in the preparation an array of potent and competitive FPR antagonists. The pyran ring significantly deviates from planarity and the dihedral angle between the benzo-pyran mean plane and that of the exocyclic benzene ring is 88.18 (4)°. In the crystal, O-H⋯O hydrogen bonds connect the mol-ecules into C(8) chains propagating in the [010] direction.

| S-EPMC5598833 | biostudies-literature

N-(2-Hy-droxy-eth-yl)-5-(4-meth-oxy-phen-yl)-4H-pyrazole-3-carboxamide.

Project description:In the title compound, C(13)H(15)N(3)O(3), the dihedral angle between the benzene and pyrazole rings is 7.7 (1)° and the O-C-C-N torsion angle of the side chain is 74.1 (2)°. In the crystal, mol-ecules are linked by O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds.

| S-EPMC3297946 | 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