Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2',3,4,4'-Tetra-meth-oxy-chalcone.

ABSTRACT: IN THE TITLE COMPOUND [SYSTEMATIC NAME: 1-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one], C(19)H(20)O(5), the dihedral angle between the benzene rings is 26.88?(5)°. One of the meth-oxy groups is twisted slightly away from the plane [C-O-C-C torsion angle = -12.8?(3)°] while the others are almost co-planer [C-O-C-C torsion angles = -3.2?(3), 2.6?(3) and -3.6?(3)°]. The crystal packing is stabilized by inter-molecular C-H?O inter-actions. A weak intra-molecular C-H?O inter-action occurs.

SUBMITTER: van Tonder JH

PROVIDER: S-EPMC3007056 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2',3,4,4'-Tetra-meth-oxy-chalcone.

van Tonder Johannes H JH Muller Theunis J TJ Bezuidenhoudt Barend C B BC

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 1-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one], C(19)H(20)O(5), the dihedral angle between the benzene rings is 26.88 (5)°. One of the meth-oxy groups is twisted slightly away from the plane [C-O-C-C torsion angle = -12.8 (3)°] while the others are almost co-planer [C-O-C-C torsion angles = -3.2 (3), 2.6 (3) and -3.6 (3)°]. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions. A weak intra-molecular C-H⋯O inter-action o ...[more]

PMID: 21588008

Similar Datasets

2',3,4,4',5-Penta-meth-oxy-chalcone.

Project description:In the title chalcone [systemetic name 1-(2,4-dimeth-oxy-phen-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one], C(20)H(22)O(6), the dihedral angle between the plane of the two benzene rings is 7.03?(4)° with all but one of the meth-oxy groups essentially co-planar with these rings [C-C-O-C torsion angles = -76.1?(2), -0.7?(3), 1.8?(3), -6.2?(3), 2.0?(3)°]. An intra-molecular C-H?O inter-action occurs. The crystal packing is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3009150 | biostudies-literature

6,12,18,24-Tetra-meth-oxy-4,10,16,22-tetra-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-kis-(2-phenyl-eth-yl)resorcin[4]arene.

Project description:The title compound, C(76)H(80)O(16), is a macrocyclic structure. This novel resorcin[4]arene derivative has (meth-oxy-carbon-yl)meth-oxy 'head' groups on the upper rim. The compound has a C(2v) 'boat' geometry and there are a range of C-H?O contacts in the crystal structure.

| S-EPMC3254447 | biostudies-literature

2'-Carb-oxy-meth-oxy-4,4'-bis-(3-methyl-but-2-en-yloxy)chalcone.

Project description:In the title compound, C(27)H(30)O(6), also known as sofalcone, an anti-ulcer agent used for the protection of gastric mucosa-, the two benzene rings form a dihedral angle of 6.78 (11)°. Inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked by weak C-H⋯O inter-actions into ribbons propagated in [2[Formula: see text]0]. Finally, π-π inter-actions between the benzene rings [centroid-centroid distance = 3.583 (13) Å] stabilize the crystal packing.

| S-EPMC3099935 | biostudies-literature

2,3,6,7-Tetra-meth-oxy-9,10-anthra-quinone.

Project description:Mol-ecules of the title compound, C(18)H(16)O(6), are almost planar [maximum deviation = 0.096?(4)?Å] and reside on crystallographic centres of inversion. They adopt a conformation in which the C(meth-yl)-O bonds are directed along the mol-ecular short axis [C-C-O-C torsion angles of -175.3?(3) and 178.2?(3)°]. In the crystal, mol-ecules adopt a slipped-parallel arrangement with ?-? stacking inter-actions along the a axis with an inter-planar distance of 3.392?(4)?Å. Weak C-H?O inter-actions link the mol-ecules into sheets parallel to (10-2).

| S-EPMC3415025 | 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

4,10,16,22-Tetra-kis(2-chloro-acet-oxy)-6,12,18,24-tetra-meth-oxy-2,8,14,20-tetra-pentyl-resorcin[4]arene.

Project description:The title compound, C(60)H(76)Cl(4)O(12), has a macrocyclic structure and both the upper and lower rim have disordered atoms. There are no hydrogen bonds or ?-? stacking inter-actions in the crystal.

| S-EPMC3247323 | biostudies-literature

1,1,2,2-Tetra-kis[2,4-dichloro-6-(dieth-oxy-meth-yl)phen-oxy-meth-yl]ethene.

Project description:In the title compound, C(50)H(60)Cl(8)O(12), the mol-ecules are disordered about an inversion center located at the mid-point of the central C=C bond. These atoms show disorder and were modelled with two different orientations with site occupancies of 0.828?(3) and 0.172?(3). The dihedral angle between the two benzene rings in the asymmetric unit is 52.80?(6)°. Intramolecular C-H?O and C-H?Cl interactions occur and the crystal packing features inversion dimers linked by pairs of C-H?O bonds, generating R(2) (2)(10) loops.

| S-EPMC3470353 | biostudies-literature

4,5,6,10,11,12,16,17,18,22,23,24-Dodeca-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-pentyl-resorcin[4]arene.

Project description:The title compound, C(84)H(112)O(36), has a macrocyclic structure. It has 12 (meth-oxy-carbon-yl)meth-oxy 'head groups' in the upper rim and exhibits a flattened boat geometry. Intra-molecular C-H⋯O hydrogen bonds occur. In the crystal, inter-molecular C-H⋯O contacts occur. The 'head groups' and the pentyl 'feet' contain disordered (0.5:0.5 occupancy ratio) atoms.

| S-EPMC3238958 | biostudies-literature

(2-Meth-oxy-benz-yl)(2-meth-oxy-benzyl-idene)aza-nium (2-meth-oxy-phen-yl)methanaminium tetra-chloridozincate(II) monohydrate.

Project description:The title compound, (C(8)H(12)NO)(C(16)H(18)NO(2))[ZnCl(4)]·H(2)O, was obtained as a by-product of the Zn(2+) and HCl catalyzed condensation of (2-meth-oxy-phen-yl)methanamine in water. Both cations feature an intra-molecular N-H?O hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N-H?O, O-H?Cl and N-H?Cl hydrogen bonds (three of them bifurcated). Weak C-H?O intera-ctions also occur.

| S-EPMC3006710 | biostudies-literature

5,17-Dibromo-26,28-bis-[(meth-oxy-carbon-yl)meth-oxy]-25,27-diprop-oxy-2,8,14,20-tetra-thia-calix[4]arene.

Project description:The title thia-calix[4]arene derivative, C(36)H(34)Br(2)O(8)S(4), adopts an unusual pinched cone conformation with the prop-oxy-substituted benzene rings inclined inward [forming a dihedral angle of 33.4?(1)°] and with the brominated benzene rings bent outward, making a dihedral angle of 66.1?(1)°. In the crystal, the mol-ecules form chains along [001] via C-H?S hydrogen bonds and S?S contacts [S?S = 3.492?(3)?Å]. The chains are associated into bilayers through C-H?O hydrogen bonds, generating an R(2) (2)(10) motif.

| S-EPMC3344486 | 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