Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

9,9-Dimethyl-9,10-dihydroanthracene.

ABSTRACT: In the title compound, C(16)H(16), the central benzene ring adopts a boat conformation, with a dihedral angle of 34.7 (9)° between the mean planes of the two fused benzene rings. The two methyl groups at the apex of the central benzene ring are in axial and equatorial conformations. The crystal packing is stabilized by weak C-H⋯π inter-molecular inter-actions.

SUBMITTER: Siddaraju BP

PROVIDER: S-EPMC3200971 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

12-(4-Chloro-phen-yl)-9,9-dimethyl-9,10-dihydro-8H-benzo[a]xanthen-11(12H)-one.

Project description:The title compound, C(25)H(21)ClO(2), was synthesized via the three-component coupling of 4-chloro-benzaldehyde, 2-naphthol and 5,5-dimethyl-cyclo-hexane-1,3-dione. The pyran ring adopts a boat conformation, while the cyclo-hexenone ring is in an envelope conformation. The 4-chloro-phenyl ring is almost perpendicular to the pyran ring [dihedral angle = 87.39?(1)°]. In the crystal, mol-ecules are connected by inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983494 | biostudies-literature

9,9-Dimethyl-12-(4-nitro-phen-yl)-9,10-dihydro-12H-benzo[a]xanthen-11(8H)-one.

Project description:In the mol-ecular structure of the title compound, C(25)H(21)NO(4), the pyran ring adopts a flattened boat conformation, while the cyclo-hexenone ring is in an envelope conformation. The 4-nitro-phenyl ring is almost perpendicular to the pyran ring [dihedral angle = 89.39 (1)°]. In the crystal, mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2972096 | 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

9,9-Dimethyl-9-silafluorene.

Project description:The title compound, C(14)H(14)Si, crystallizes with two almost identical mol-ecules (r.m.s. deviation = 0.080?Å for all non-H atoms) in the asymmetric unit. All atoms of the silafluorene moiety lie in a common plane (r.m.s. deviations = 0.049 and 0.035?Å for the two mol-ecules in the asymmetric unit). The Si-C(meth-yl) bonds are significantly shorter [1.865?(4)-1.868?(4)?Å] than the Si-C(aromatic) bonds [1.882?(3)-1.892?(3)?Å]. Owing to strain in the five-membered ring, the endocyclic C-Si-C angles are reduced to 91.05?(14) and 91.21?(14)°.

| S-EPMC2968660 | biostudies-literature

Crystal structure of tetraaquabis(8-chloro-9,10-dioxo-9,10-dihydroanthracene-1-carboxyl-ato-?O (1))cobalt(II) dihydrate.

Project description:In the title complex, [Co(C15H6ClO4)2(H2O)4]·2H2O, the Co(II) ion is bound by two carboxylate O atoms of two 5-chloro-9,10-anthra-quinone-1-carboxyl-ate anions and four water O atoms in a trans conformation, forming an irregular octa-hedral coordination geometry. This arrangement is stabilized by intra-molecular O-H?O hydrogen bonds between water and carboxyl-ate. Further O-H?O hydrogen bonds between coordinating and non-coordinating water and carboxyl-ate produce layers of mol-ecules that extend parallel to (001). The organic ligands project above and below the plane. Those ligands of adjacent planes are inter-digitated and there are ?-? inter-actions between them with centroid-centroid distances of 3.552?(2) and 3.767?(2)?Å that generate a three-dimensional supra-molecular structure.

| S-EPMC4257216 | biostudies-literature

Bis(1,10-phenanthrolin-1-ium) 9,10-di-oxo-9,10-dihydroanthracene-1,5-disul-fonate hexa-hydrate.

Project description:The title hydrated molecular salt, 2C(12)H(9)N(2) (+)·C(14)H(6)O(8)S(2) (2-)·6H(2)O, consists of 1,10-phenanthrolinium (phen-H(+)) cations, anthraquinone-1,5-disulfonate (AQDS(2-)) anions, which occupy a centre of inversion, and water molecules of crystal-lization. In the crystal, a supra-molecular network structure is formed via N-H?O and O-H?O hydrogen bonds and weak C-H?O and ?-? stacking inter-actions [centroid-centroid distances = 3.651?(6) and 3.545?(8)?Å].

| S-EPMC3051516 | biostudies-other

2,7-Dibromo-9,9-dimethyl-9H-fluorene.

Project description:The title mol-ecule, C(15)H(15)Br(2), has crystallographic m2m site symmetry. As a result, all atoms, except for those of the methyl groups, are exactly coplanar. In the crystal structure, there are weak ?-? inter-actions with a centroid-centroid distance of 3.8409?(15)?Å between symmetry-related mol-ecules, which stack along the c axis.

| S-EPMC2979143 | biostudies-literature

1-Dimethyl-amino-9,10-anthraquinone.

Project description:In the crystal structure of the title compound, C(16)H(13)NO(2), adjacent mol-ecules are linked through C-H⋯π and π-π [centroid-centroid distances = 3.844 (2) Å] contacts. The anthracene ring system and dimethyl-amino group are oriented at a dihedral angle of 38.4 (1)°. In the crystal, the mean planes of adjacent anthracene units are inclined at angles of 59.3 (1), 75.7 (1) and 76.0 (1)°.

| S-EPMC3052127 | biostudies-literature

Methoxy-substituted 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives exhibit differential binding affinities at the 5-HT(2A) receptor.

Project description:The effects of methoxy-substitution at the 1-, 2-, 3-, and 4-positions of 9-aminomethyl-9,10-dihydroanthracene (AMDA) on h5-HT(2A) receptor affinity were determined. Racemic mixtures of these compounds were found to show the following affinity trend: 3-MeO > 4-MeO > 1-MeO approximately 2-MeO. Comparison of the effects of these substitutions, with the aid of computational molecular modeling techniques, suggest that the various positional and stereochemical isomers of the methoxy-substituted AMDA compounds interact differently with the h5-HT(2A) receptor. It is predicted that for the compounds with higher affinities, the methoxy oxygen atom is able to interact with hydrogen bond-donating sidechains within alternative h5-HT(2A) receptor binding sites, whereas the lower-affinity isomers lack this ability.

| S-EPMC3082371 | biostudies-literature

4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-thioxanthene.

Project description:In the title compound, C(23)H(28)Br(2)S, the thioxanthene unit is twisted, showing a dihedral angle of 29.3?(5)° between the benzene rings. When projected along [001], the packing shows two types of channels. The crystal studied was a racemic twin.

| S-EPMC3379388 | 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