Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Wang WL

PROVIDER: S-EPMC2915373 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Wen-Liang WL Sun Wei W Gu Qian-Qun QQ Zhu Wei-Ming WM

Acta crystallographica. Section E, Structure reports online 20071221 Pt 1

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. π-π 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]. ...[more]

PMID: 21200893

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

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

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

3,5-Dihydr-oxy-N'-(2-hydroxy-benzyl-idene)benzohydrazide monohydrate.

Project description:The title potential anti-bacterial compound, C(14)H(12)N(2)O(4)·H(2)O, is a Schiff base which has an intra-molecular O-H⋯N hydrogen bond and crystallizes with one uncoordinated water mol-ecule, which links three symmetry-related mol-ecules through two O-H⋯O and one N-H⋯O hydrogen bond. In the crystal structure, further inter-molecular O-H⋯O hydrogen bonds link symmetry-related mol-ecules, forming layers parallel to the bc plane.

| S-EPMC2915379 | 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

11?,17a?-Dihydr-oxy-17a?-methyl-d-homoandrosta-1,4-diene-3,17-dione monohydrate.

Project description:In the title compound, C(21)H(28)O(4)·H(2)O, the cyclo-hexa-dienone ring is planar (r.m.s. deviation 0.0186?Å), whereas the two cyclo-hexane rings and the cyclo-hexa-none ring adopt chair conformations. The crystal structure is stabilized by O-H?O and C-H?O hydrogen bonds.

| S-EPMC2968801 | biostudies-other

N'-(3-Eth-oxy-2-hydroxy-benzyl-idene)-4-hydr-oxy-3-methoxy-benzohydrazide monohydrate.

Project description:In the title compound, C(17)H(18)N(2)O(5)·H(2)O, the dihedral angle between the two aromatic rings is 7.86?(7)° and an intra-molecular O-H?N hydrogen bond is observed. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC2970457 | biostudies-literature

Methyl 3,5-bis-[(4-hydroxy-methyl-2-methoxy-phen-oxy)meth-yl]benzoate.

Project description:In the title compound, C(26)H(28)O(8), the central aromatic ring forms dihedral angles of 24.32 (11) and 80.19 (7)° with the two adjoining vanillyl alcohol rings. In the crystal, O-H⋯O hydrogen bonds connect the mol-ecules, forming a hydrogen-bonded sheet-like motif extended in the ab plane.

| S-EPMC2983507 | biostudies-literature

The 1:1 co-crystal of 2-bromo-naphthalene-1,4-dione and 1,8-di-hydroxy-anthracene-9,10-dione: crystal structure and Hirshfeld surface analysis.

Project description:The asymmetric unit of the title co-crystal, C10H5BrO2·C14H8O4 [systematic name: 2-bromo-1,4-di-hydro-naphthalene-1,4-dione-1,8-dihy-droxy-9,10-di-hydro-anthracene-9,10-dione (1/1)], features one mol-ecule of each coformer. The 2-bromo-naphtho-quinone mol-ecule is almost planar [r.m.s deviation of the 13 non-H atoms = 0.060 Å, with the maximum deviations of 0.093 (1) and 0.099 (1) Å being for the Br atom and a carbonyl-O atom, respectively]. The 1,8-di-hydroxy-anthra-quinone mol-ecule is planar (r.m.s. deviation for the 18 non-H atoms is 0.022 Å) and features two intra-molecular hy-droxy-O-H⋯O(carbon-yl) hydrogen bonds. Dimeric aggregates of 1,8-di-hydroxy-anthra-quinone mol-ecules assemble through weak inter-molecular hy-droxy-O-H⋯O(carbon-yl) hydrogen bonds. The mol-ecular packing comprises stacks of mol-ecules of 2-bromo-naphtho-quinone and dimeric assembles of 1,8-di-hydroxy-anthra-quinone with the shortest π-π contact within a stack of 3.5760 (9) Å occurring between the different rings of 2-bromo-naphtho-quinone mol-ecules. The analysis of the Hirshfeld surface reveals the importance of the inter-actions just indicated but, also the contribution of additional C-H⋯O contacts as well as C=O⋯π inter-actions to the mol-ecular packing.

| S-EPMC5418796 | biostudies-literature

2,4-Dihydr-oxy-N'-(4-methoxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title compound, C(15)H(14)N(2)O(4), displays a trans configuration with respect to the hydrazide C=N bond. The dihedral angle between the two benzene rings is 15.0 (2)°. In the crystal structure, mol-ecules are linked through inter-molecular O-H⋯N and O-H⋯O hydrogen bonds, forming layers parallel to the ab plane; an intramolecular N-H⋯O hydrogen bond is also present.

| S-EPMC2960241 | 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