Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Hydr-oxy-1,2-dimethoxy-anthraquinone.

ABSTRACT: The title compound, C(16)H(12)O(5), was isolated from Morinda officinalis How. The anthraquinone ring system is almost planar, the dihedral angle between the two benzene rings being 1.12?(4)°. In the crystal structure, O-H?O and C-H?O hydrogen bonds link the mol-eculesin the crystallographic a-axis direction. Weak ?-? stacking inter-actions [centroid-centroid distance between symmetry-related benzene rings of 3.699?(4)?Å] are also present.

SUBMITTER: Xu YJ

PROVIDER: S-EPMC2969515 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Hydr-oxy-1,2-dimethoxy-anthraquinone.

Xu Yong-Jun YJ Yang Xiao-Xi XX Zhao Hong-Bin HB

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

The title compound, C(16)H(12)O(5), was isolated from Morinda officinalis How. The anthraquinone ring system is almost planar, the dihedral angle between the two benzene rings being 1.12 (4)°. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds link the mol-eculesin the crystallographic a-axis direction. Weak π-π stacking inter-actions [centroid-centroid distance between symmetry-related benzene rings of 3.699 (4) Å] are also present. ...[more]

PMID: 21582815

Similar Datasets

2-Hydr-oxy-1-methoxy-anthraquinone monohydrate.

Project description:The title compound, C(15)H(10)O(4)·H(2)O, also known as alizarin 1-methyl ether monohydrate, was isolated from Morinda officinalis How. The anthraquinone ring system is almost planar, the dihedral angle between the two outer benzene rings being 3.07?(4)°. In the crystal structure, O-H?O hydrogen bonds link the organic mol-ecules and the water mol-ecules, forming a three-dimensional network.

| S-EPMC2969380 | biostudies-literature

2-Hydr-oxy-1,6,7,8-tetra-meth-oxy-3-methyl-anthraquinone.

Project description:The title compound, C(19)H(18)O(7), also known as chrysoobtusin, was isolated from Cassia tora L. (Leguminosae). The anthraquinone ring system is almost planar, the dihedral angle between the two benzene rings being 4.27?(4)°. The structure is stabilized by intra- and inter-molecular O-H?O and C-H?O hydrogen bonds, and by weak ?-? stacking inter-actions along the b axis, with a centroid-centroid distance between related benzene rings of 3.800?(4)?Å.

| S-EPMC2960471 | biostudies-literature

3-Hydr-oxy-7,8-dimethoxy-quinolin-2(1H)-one.

Project description:In the crystal structure of the title compound, C(11)H(11)NO(4), intra-molecular O-H?O hydrogen bonding results in the formation of a planar five-membered ring, which is nearly coplanar with the quinoline group. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2961255 | biostudies-literature

1-Hydr-oxy-2-meth-oxy-6-methyl-9,10-anthraquinone from Rennellia elliptica Korth.

Project description:The title compound, C(16)H(12)O(4), exists as planar molecules in the solid state (r.m.s. deviation of 0.02?Å in one mol-ecule and 0.07?Å in the second independent mol-ecule comprising the asymmetric unit). In each mol-ecule, the 1-hydr-oxy group forms an intra-molecular hydrogen bond to the adjacent carbonyl O atom.

| S-EPMC2969574 | biostudies-literature

2-(2,6-Dimethoxy-phen-yl)-5-hydr-oxy-7-meth-oxy-4H-1-benzopyran-4-one.

Project description:In the title compound, C(18)H(16)O(6), the dimethoxy-phenyl ring is rotated by 61.8?(1)° from the plane of the benzopyran system. The mol-ecule is stabilized by an intra-molecular O-H?O hydrogen bond.

| S-EPMC2970052 | biostudies-literature

Dimethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the crystal of the title compound, C(16)H(19)O(4)P, the mol-ecules are dimerized with R(2) (2)(10) ring motifs through the hydr-oxy and P=O O atoms. The dihedral angle between the aromatic rings is 66.89?(9)°. There are ?-? inter-actions [centroid-centroid distance = 3.9669?(16)?Å] between the benzene rings of adjacent benzyl groups. A C-H?? inter-action between the aromatic rings where C-H is from a benzyl group is also present.

| S-EPMC2977278 | biostudies-literature

Dimethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the mol-ecule of the title compound, C(16)H(19)O(4)P, the coordination around the P atom is distorted tetra-hedral. The aromatic rings are oriented at a dihedral angle of 72.28?(11)°. Intra-molecular C-H?O hydrogen bonding result in the formation of five- and six-membered rings. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is also a weak C-H?? inter-action.

| S-EPMC2968507 | biostudies-literature

Diethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the title compound, C(18)H(23)O(4)P, the dihedral angle between the aromatic ring planes is 69.94?(14)°. Both ethyl side chains are disordered over two sets of sites, with occupancy ratios of 80:20 and 70:30. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds occur, leading to R(2) (1)(8) loops, and C-H?O and weak C-H?? inter-actions are also seen.

| S-EPMC2969590 | biostudies-literature

1,2-Bis[(2-hydr-oxy-3-methoxy-benzyl-idene)hydrazono]-1,2-diphenyl-ethane.

Project description:The title compound, C(30)H(26)N(4)O(4), was synthesized by the reaction of benzyl dihydrazone and 2-hydr-oxy-3-methoxy-benzaldehyde in ethanol. In the crystal strucutre, the mol-ecule is centrosymmetric. The structure displays two symmetry-related intra-molecular O-H?N hydrogen bonds.

| S-EPMC2961346 | biostudies-literature

1-(2-Hydr-oxy-3,4-dimethoxy-phen-yl)-2-(4-methoxy-phen-yl)ethanone.

Project description:In the title compound, C(17)H(18)O(5), the pyrogallol group is almost coplanar with the mean plane of the attached carbonyl group [dihedral angle of 1.95 (13)°] and makes a dihedral angle of 56.01 (10)° with the other benzene ring. Of the three meth-oxy groups, only one is significantly twisted relative to its attached benzene ring [C-O-C-C torsion angles of 4.0 (5), 3.9 (6) and -106.3 (4)°]. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds help to establish the conformation, and the packing is consolidated by C-H⋯O inter-actions and π-π stacking interactions [centroid-centroid separation = 3.735 (2) Å].

| S-EPMC2959998 | 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