Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

9,10-Dihydr-oxy-4,4-dimethyl-5,8-dihydro-anthracen-1(4H)-one.

ABSTRACT: In the title mol-ecule, C(16)H(16)O(3), the ring system is planar and an intramolecular hydrogen bond is present. The mol-ecular packing is dominated by an inter-molecular hydrogen bond and by π-stacking inter-actions [inter-planar separation 3.8012 Å].

SUBMITTER: Ramirez-Rodriguez O

PROVIDER: S-EPMC2961891 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

9,10-Dihydr-oxy-4,4-dimethyl-5,8-dihydro-anthracen-1(4H)-one.

Ramírez-Rodríguez Oney O Martínez-Cifuentes Maximiliano M Ibañez Andres A Vega Andrés A Araya-Maturana Ramiro R

Acta crystallographica. Section E, Structure reports online 20080621 Pt 7

In the title mol-ecule, C(16)H(16)O(3), the ring system is planar and an intramolecular hydrogen bond is present. The mol-ecular packing is dominated by an inter-molecular hydrogen bond and by π-stacking inter-actions [inter-planar separation 3.8012 Å]. ...[more]

PMID: 21202942

Similar Datasets

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

9,10-Dimethyl-9,10-per-oxy-9,10-dihydro-anthracene.

Project description:The structure of the title compound, C(16)H(14)O(2), contains one half-mol-ecule in the asymmetric unit and the mol-ecule is located on a mirror plane. The dihedral angle between the two benzene ring planes is 53.07 (6)°. The crystal structure involves intermolecular C-H⋯O hydrogen bonds.

| S-EPMC2961065 | biostudies-literature

9-[3-(Dimethyl-amino)-prop-yl]-10,10-dimethyl-9,10-dihydro-anthracen-9-ol.

Project description:The asymmetric unit of the title compound, C(21)H(27)NO, contains two mol-ecules (A and B). In mol-ecule A, the central ring of the anthrone unit adopts a shallow boat conformation and the dihedral angle between the benzene rings is 18.96 (7)°. In mol-ecule B, the central ring is close to being planar (r.m.s. deviation = 0.078 Å) and the dihedral angle between the aromatic rings is 7.82 (7)°. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming zigzag C(7) chains of alternating A and B mol-ecules running parallel to [100]. The structure also features weak C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3569237 | biostudies-literature

3,5-Dihydr-oxy-2-methyl-4H-pyran-4-one.

Project description:In the title compound, C(6)H(6)O(4), inter- and intra-molecular hydrogen bonds are observed which help to establish the crystal structure. There are weak π-π interactions between pyran rings separated by 3.5692 (9) Å.

| S-EPMC2961595 | biostudies-literature

11-Hy-droxy-9-(prop-2-en-1-yl)-9,10-dihydro-9,10-propano-anthracen-12-one.

Project description:In the title compound, C(20)H(18)O(2), the central six-membered ring adopts a boat conformation and the terminal benzene rings make a dihedral angle of 42.66 (4)° with each other. In the crystal structure, the O-H group forms both an intra- and an inter-molecular O-H⋯O hydrogen bond; the former generates an S(5) ring and the latter leads to inversion-generated R(2) (2)(10) loops. The dimers are further linked into ribbons propagating along the a axis by C-H⋯O inter-actions, and the packing is consolidated by weak C-H⋯π inter-actions.

| S-EPMC3200828 | biostudies-literature

2-(4-Meth-oxy-benzyl-idene)-4,4-dimethyl-3,4-dihydro-naphthalen-1(2H)-one.

Project description:The title compound C(20)H(20)O(2), has the exocyclic C=C double bond in an E configuration. The two benzene rings form a dihedral angle of 72.92 (6)°.

| S-EPMC3011461 | biostudies-literature

4-(9,10-Dioxo-9,10-dihydro-anthracen-1-yl)-4-oxobutanoic acid.

Project description:In the title compound, C(18)H(12)O(5), the anthracene moiety is almost planar (r.m.s. deviation = 0.0399 Å). In the crystal, mol-ecules are linked to each other by inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds.

| S-EPMC3011440 | 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

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

Project description: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).

| S-EPMC2979082 | biostudies-literature

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 ω-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

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