Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(5-Hy-droxy-2,2,8,8-tetra-methyl-2H,8H-pyrano[2,3-f]chromen-6-yl)ethanone.

ABSTRACT: In the title compound, C(18)H(20)O(4),the pyran ring of the chromene unit adopts a half-chair conformation. An intra-molecular O-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked along the b axis by C-H?O hydrogen bonds.

SUBMITTER: Pawar S

PROVIDER: S-EPMC3470397 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(5-Hy-droxy-2,2,8,8-tetra-methyl-2H,8H-pyrano[2,3-f]chromen-6-yl)ethanone.

Pawar Sunayna S Cheddie Adele A Omondi Bernard B Koorbanally Neil Anthony NA

Acta crystallographica. Section E, Structure reports online 20120929 Pt 10

In the title compound, C(18)H(20)O(4),the pyran ring of the chromene unit adopts a half-chair conformation. An intra-molecular O-H⋯O hydrogen bond occurs. In the crystal, mol-ecules are linked along the b axis by C-H⋯O hydrogen bonds. ...[more]

PMID: 23125810

Similar Datasets

1-(5-Hy-droxy-2,2,8,8-tetra-methyl-2H,8H-pyrano[2,3-f]chromen-6-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the biologically active title compound, C26H26O5, the pyran ring of the chromene unit adopts a half-chair conformation. The C=C double bond of the propenone unit exhibits a trans conformation and the carbonyl group is syn conformation to the double bond. The dihedral angle between the benzene ring and the benzopyran-one moiety is 31.54 (4)°. The mol-ecular structure is stabilized by an intra-molecular C=O⋯H-O hydrogen bond.

| S-EPMC3629519 | biostudies-literature

5-Meth-oxy-2,2-dimethyl-6-[(2E)-2-methyl-but-2-eno-yl]-10-phenyl-2H,8H-pyrano[2,3-f]chromen-8-one (calophyllolide).

Project description:The title compound, C(26)H(24)O(5), was isolated from calophyllum inophyllum seeds. In the mol-ecule, the phenyl and 2-methyl-but-2-enoyl groups are almost orthogonal to the chromene fragment [C-C-C-C torsion angles = 81.4?(3) and -90.1?(2)°, respectively]. In the crystal packing, centrosymmetrically related mol-ecules are linked by C-H?O contacts into dimers, which are connected via further C-H?O inter-actions into a double chain along [010].

| S-EPMC2979159 | biostudies-literature

4-Hy-droxy-3-[(4-hy-droxy-2-oxo-2H-3-chromen-yl)(3-thien-yl)meth-yl]-2H-chromen-2-one.

Project description:The whole mol-ecule of the title compound, C(23)H(14)O(6)S, is disordered over two sets of sites with refined occupancies of 0.8733?(12):0.1267?(12). The dihedral angle between the mean planes through the chromene ring systems is 56.31?(5) and 55.2?(3)° for the major and minor components, respectively. In both components, a pair of intra-molecular O-H?O inter-actions generate rings of S(8) graph-set motif. In the crystal, the mol-ecules are linked by inter-molecular C-H?O inter-actions, forming chains along the b axis. The structure is further stabilized by ?-? inter-actions with centroid-centroid distances of 3.594?(2) and 3.608?(5)?Å.

| S-EPMC3089123 | biostudies-literature

7-Hy-droxy-4-methyl-8-(3-methyl-benzo-yl)-2H-chromen-2-one ethanol monosolvate.

Project description:In the title compound, C(18)H(14)O(4)·C(2)H(6)O, the coumarin ring system is approximately planar with a maximum deviation of 0.037 (3) Å and is nearly perpendicular to the benzene ring, making a dihedral angle of 86.55 (9)°. In the crystal, mol-ecules are linked by classical O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions.

| S-EPMC3238909 | biostudies-literature

3,3'-[(4-Nitro-phen-yl)methyl-ene]bis-(4-hy-droxy-2H-chromen-2-one).

Project description:The molecular conformation of the title compound, C(25)H(15)NO(8), is stabilized by strong intramolecular O-H⋯O hydrogen bonds, resulting in the formation of S(1) (1)(7) ring motifs. In the crystal, π-π stacking inter-actions are observed between adjacent nitrobenzene and pyranone rings with a centroid-centroid distance of 3.513 (12) Å. The dihedral angles between the nitrobenzene ring and the coumarin ring systems are 65.61 (8) and 66.11 (8)° while the coumarin ring systems are inclined at 65.69 (8)°.

| S-EPMC3274964 | biostudies-literature

Crystal structure of methyl 2-(7-hy-droxy-2-oxo-2H-chromen-4-yl)acetate.

Project description:In the title coumarin derivative, C12H10O5, the fused ring system is almost planar (r.m.s deviation = 0.016 Å). The Car-C-C=O torsion angle of the side chain is -8.4 (2)° In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating C(8) chains propagating in the [100] direction. The chains are cross-linked by weak C-H⋯O inter-actions, thereby generating undulating (001) sheets.

| S-EPMC4555392 | 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

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

1-(2-Eth-oxy-2-methyl-2H-chromen-3-yl)ethanone.

Project description:The Csp(3) atom of the chromenyl fused-ring system in the title compound, C(14)H(16)O(3), deviates by 0.407 (2) Å from the plane of the other atoms (r.m.s. deviation = 0.041 Å). The eth-oxy substituent occupies a pseudo-axial position.

| S-EPMC2968912 | biostudies-literature

3-Acetyl-4-hy-droxy-6,7-dimethyl-2H-chromen-2-one.

Project description:In the title coumarin derivative, C(13)H(12)O(4), the 2H-chromene ring system is essentially planar [maximum deviation = 0.047?(1)?Å]. An intra-molecular hydrogen bond is observed between the hy-droxy and the ketonic O atoms. In the crystal, pairs of inter-molecular C-H?O hydrogen bonds link inversion-related mol-ecules into dimers. Additional inter-molecular C-H?O hydrogen bonds further inter-connect these dimers into two-dimensional arrays incorporating R(2) (2)(9) ring motifs.

| S-EPMC3011552 | 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