Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6,7-Dimeth-oxy-1,4-anthraquinone.

ABSTRACT: The mol-ecule of the title compound, C(16)H(12)O(4), is almost planar; the two meth-oxy groups are slightly out of the plane of the anthraquinone ring system, with C-C-O-C torsion angles of -6.25?(19) and -10.22?(19)°. In the crystal structure, the mol-ecules adopt a herringbone arrangement and form face-to-face slipped anti-parallel ?-? stacking inter-actions along the b axis, with an inter-planar distance of 3.278?(2)?Å.

SUBMITTER: Kitamura C

PROVIDER: S-EPMC2960635 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

6,7-Dimeth-oxy-1,4-anthraquinone.

Kitamura Chitoshi C Akamatsu Naoki N Yoneda Akio A Kawase Takeshi T

Acta crystallographica. Section E, Structure reports online 20080823 Pt 9

The mol-ecule of the title compound, C(16)H(12)O(4), is almost planar; the two meth-oxy groups are slightly out of the plane of the anthraquinone ring system, with C-C-O-C torsion angles of -6.25 (19) and -10.22 (19)°. In the crystal structure, the mol-ecules adopt a herringbone arrangement and form face-to-face slipped anti-parallel π-π stacking inter-actions along the b axis, with an inter-planar distance of 3.278 (2) Å. ...[more]

PMID: 21201781

Similar Datasets

1-Cyclo-hexyl-6,7-dimeth-oxy-1,4-di-hydro-naphthalene.

Project description:The title compound, C18H24O2, was isolated from the leaves extract of Ficus carica L. The cyclo-hexane ring displays a chair conformation whereas the cyclo-hexa-1,4-diene ring adopts a flattened boat conformation with methyl C atoms at the prow and stern. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds into supra-molecular chains propagated along the b-axis direction.

| S-EPMC4051087 | biostudies-other

4-Chloro-6,7-dimeth-oxy-quinoline.

Project description:The title mol-ecule, C(11)H(10)ClNO(2), is almost planar with the C atoms of the meth-oxy groups deviating by -0.082?(2) and 0.020?(2)?Å from the least-squares plane defined by the atoms of the quinoline ring system (r.m.s. deviation = 0.002?Å). An intra-molecular C-H?Cl inter-action generates an S(5) ring motif.

| S-EPMC3247411 | biostudies-literature

6,7-Dimeth-oxy-2,4-di-phenyl-quinoline.

Project description:In the title structure of the title compound, C23H19NO2, two conformationally similar mol-ecules (A and B) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25?(8)° in mol-ecule A and 70.39?(9)° in mol-ecule B. In the crystal, the independent mol-ecules are connected by C-H?O hydrogen bonds and the resulting dimeric aggregates are linked by ?-? [inter-centroid distance = 3.7370?(8)?Å] and C-H?? inter-actions, forming a three-dimensional architecture.

| S-EPMC3998322 | biostudies-literature

2,6-Dimeth-oxy-9,10-anthraquinone.

Project description:The title compound, C(16)H(12)O(4), crystallizes with two half-mol-ecules in the asymmetric unit, each of which is completed by a crystallographic inversion center. The two crystallographically independent mol-ecules have almost the same geometry and are almost planar [maximum deviations = 0.018?(3) and 0.049?(3)?Å]. 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 179.6?(2) and 178.0?(2)°]. In the crystal, the mol-ecular packing is characterized by a combination of a columnar stacking and a herringbone-like arrangement. The mol-ecules form slipped ?-stacks along the b axis, in which there are two kinds of columns differing from each other in their slippage. The inter-planar distances between neighboring mol-ecules are 3.493?(3) for one column and 3.451?(2)?Å for the other.

| S-EPMC3470203 | biostudies-other

(3-Ethyl-6,7-dimeth-oxy-naphthalen-1-yl)(phen-yl)methanone.

Project description:The asymetric unit of the title mol-ecule, C(21)H(20)O(3), contains two crystallographically independent mol-ecules, A and B, which differ in the orientation of the ethyl group substituted on the naphthalene system; the dihedral angles between the ethyl group and the naphthalene system are 7.4?(3) and 68.1?(3)°, respectively, for mol-ecules A and B. The dihedral angles between the benzoyl and naphthalene groups are 64.7?(7) and 69.4?(8)°, respectively, for mol-ecules A and B. The crystal structure features four aromatic ?-? stacking interactions [centroid-centroid distances = 4.181?(1), 3.891?(1), 4.423?(1) and 4.249?(1)?Å].

| S-EPMC3295444 | biostudies-literature

2,3-Dichloro-5,8-dimeth-oxy-1,4-naphtho-quinone.

Project description:In the crystal structure of the title compound, C(12)H(8)Cl(2)O(4), mol-ecules crystallize in planes parallel to (-204) with an inter-planar distance of 3.288?(2)?Å [centroid-centroid distance = 3.819?(2) and slippage = 1.932?(2)?Å]. The structure features C-H?O inter-actions involving meth-oxy and aromatic H atoms and the carbonyl O atoms as well as a C-H?Cl inter-action involving an aromatic H atom. In addition there are short inter-halogen contacts between adjoining mol-ecules [Cl?Cl = 3.3709?(5)?Å].

| S-EPMC3393287 | biostudies-literature

6,7-Dimeth-oxy-3-meth-oxy-carbonyl-1-(2-meth-oxy-phen-yl)-3,4-dihydro-isoquinoline 2-oxide.

Project description:In the title compound, C(20)H(21)NO(6), an N-oxide-based organocatalyst, the N-containing six-membered ring adopts a twisted half-chair conformation. No hydrogen bonding or ?-? stacking was found within the crystal structure.

| S-EPMC3120572 | biostudies-literature

Ethyl 5,8-dibromo-2-dibromo-methyl-6,7-dimeth-oxyquinoline-3-carb-oxy-late.

Project description:The title compound, C(15)H(13)Br(4)NO(4), was obtained via radical bromination reaction of ethyl 6,7-dimeth-oxy-2-methyl-quinoline-3-carboxyl-ate and N-bromo-succinimide (NBS) in the presence of benzoyl peroxide (BPO) under photocatalytic conditions. The quinoline ring system is approximately planar with a maximum deviation from the mean plane of 0.035?(1)?Å. The dihedral angle between the six-membered rings is 2.33?(2)°. The meth-oxy O atoms of the two neighboring meth-oxy groups are in-plane while their methyl C atoms are located on either side of the quinolyl ring plane at distances of -1.207?(1) and 1.223?(1)?Å.

| S-EPMC3007515 | biostudies-literature

Methyl 1-cyclo-hexyl-6,7-dimeth-oxy-3,4-dihydro-isoquinoline-3-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(25)NO(4). A single C-H?? inter-action and various inter-molecular contacts (2.65-2.83?Å) link the independent mol-ecules in the crystal structure. The N-containing six-membered ring assumes a twisted half-boat conformation.

| S-EPMC3100070 | biostudies-literature

4,4'-Dimeth-oxy-2,2'-[(butane-1,4-diyldi-oxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base bis-oxime compound, C(20)H(24)N(2)O(6), lies across an inversion centre and adopts an E configuration with respect to the C=N bond. In the mol-ecule, the oxime group is roughly coplanar with the benzene ring, forming a dihedral angle of 1.77?(2)°. An intra-molecular O-H?N hydrogen bond forms a six-membered ring with an S(6) motif. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3009145 | 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