Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,8-Dihydr-oxy-2,4,5,7-tetra-nitro-9,10-anthraquinone.

ABSTRACT: The ring system in the title compound, C(14)H(4)N(4)O(12), is essentially planar (r.m.s. deviation of the carbon atoms = 0.085?Å); the two hydr-oxy groups form intra-molecular hydrogen bonds to the same carbonyl O atom. The nitro groups are twisted with respect to the mean plane of the ring system by 74.3?(1) (1-nitro), 42.3?(3) (3-nitro), 45.7?(3) (6-nitro) and 66.9?(1)° (8-nitro).

SUBMITTER: Armaghan M

PROVIDER: S-EPMC2979082 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1,8-Dihydr-oxy-2,4,5,7-tetra-nitro-9,10-anthraquinone.

Armaghan Mahsa M Amini Mostafa M MM Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100424 Pt 5

The ring system in the title compound, C(14)H(4)N(4)O(12), is essentially planar (r.m.s. deviation of the carbon atoms = 0.085 Å); the two hydr-oxy groups form intra-molecular hydrogen bonds to the same carbonyl O atom. The nitro groups are twisted with respect to the mean plane of the ring system by 74.3 (1) (1-nitro), 42.3 (3) (3-nitro), 45.7 (3) (6-nitro) and 66.9 (1)° (8-nitro). ...[more]

PMID: 21579207

Similar Datasets

1,3-Dihydr-oxy-2-methoxy-methyl-9,10-anthraquinone from Rennellia elliptica Korth.

Project description:The title compound, C(16)H(12)O(5), common name: lucidin ?-methyl ether, exists as a planar mol-ecule (r.m.s. deviation = 0.04?Å). Within the mol-ecule, the 1-hydr-oxy group forms a hydrogen bond to the adjacent carbonyl O atom, and the 3-hydr-oxy group forms a hydrogen bond to the adjacent meth-oxy O atom. The meth-oxy O atom is disordered over two positions of equal occupancy.

| S-EPMC2969543 | biostudies-literature

6-[3-(2,4-Dimethyl-anilino)-2-hydroxy-prop-oxy]-1,8-dihydr-oxy-3-methyl-9,10-dihydro-anthracene-9,10-dione.

Project description:In the title compound, C(26)H(25)NO(6), the anthraquinone ring system forms a dihedral angle of 15.5?(1)° with the benzene ring of the dimethyl-aniline group. Intra-molecular O-H?O hydrogen bonding is observed between the carbonyl and two hydroxyl groups. The mol-ecules are linked into a ribbon-like structure along the [100] direction by O-H?N and C-H?O hydrogen bonds. The crystal used was twinned via a 180° rotation about [100]. The ratio of the two twin components is 0.947?(1):0.053?(1).

| S-EPMC2968285 | biostudies-literature

1,8-Bis(tos-yloxy)-9,10-anthraquinone.

Project description:In the crystal structure of the title compound, C(28)H(20)O(8)S(2), adjacent anthracene skeletons are parallel or inclined at an angle of 20.6?(1)°. In the mol-ecular structure, the mean plane of the anthracene skeleton makes dihedral angles of 49.6?(1) and 76.8?(1)° with the tosyl rings, and the two terminal benzene rings are oriented at an angle of 74.5?(1)° with respect to each other. The crystal structure is stabilized by inter-molecular C-H?O and C-O?? inter-actions.

| S-EPMC2980119 | biostudies-literature

1,3-Dihydr-oxy-9,10-dioxo-9,10-di-hydro-anthracene-2-carbaldehyde.

Project description:The title compound, C(15)H(8)O(5), also known as nordamnacanthal, was isolated from the Malaysian Morinda citrifolia L. The 20 non-H atoms are coplanar. The structure is stabilized by intra-molecular O-H?O hydrogen bonds and inter-molecular O-H?O and C-H?O hydrogen bonds, forming bilayers of mol-ecular tapes with alternating stacking directions along the a axis.

| S-EPMC2960756 | 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

1-Meth-oxy-4-methyl-9,10-anthraquinone.

Project description:The non-H atoms of the title compound, C(16)H(12)O(3), lie approximately in a common plane (r.m.s. deviation = 0.032?Å). The methyl C atom is forced away from the carbonyl O atom which can be seen by the widened C(fused ring)-C(benzene)-C(meth-yl) angle of 125.8?(2)°.

| S-EPMC3247377 | biostudies-literature

1,6-Dihydr-oxy-3-hydroxy-methyl-8-methoxy-anthracene-9,10-dione monohydrate.

Project description:The title compound, C(16)H(12)O(6)·H(2)O, isolated from the halotolerant fungus Aspergillus variecolor B-17, is also known as questinol monohydrate. In the crystal structure, O-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional network. ?-? stacking inter-actions consolidate the supra-molecular structure [the shortest inter-planar distances are 3.456?(3), 3.366?(4) and 3.382?(4)?Å].

| S-EPMC2915373 | 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

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-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 π-π 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

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