Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Bromo-1,6,6-trimethyl-6,7,8,9-tetra-hydro-phenanthro[1,2-b]furan-10,11-dione.

ABSTRACT: In the title compound, C19H17BrO3, the ring skeleton is located on a crystallographic mirror plane; two C atoms of the cyclo-hexene ring are disordered over the two locations to satisfy the preferred ring conformation. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into chains along the a axis. π-π stacking inter-actions between benzo-quinone rings, with a centroid-centroid distance of 3.7225 (4) Å, are also observed, which connect the chains into a two-dimensional networkparallel to the ab plane.

SUBMITTER: Fan CP

PROVIDER: S-EPMC3684922 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

6,7,8,9-Tetra-hydro-4b,9b-dihy-droxy-indano[1,2-b]indoline-9,10-dione monohydrate.

Project description:In the title compound, C(15)H(13)NO(4)·H(2)O, the organic mol-ecule adopts a V-shaped conformation in which the dihedral angle between the five-membered rings is 68.33?(5)°. The cyclo-hexenone ring adopts an envelope conformation, with one of the methyl-ene C atoms displaced by 0.607?(4)?Å from the plane through the other atoms. In the crystal, inter-molecular N-H?(O,O) and O-H?O hydrogen bonds link the components into (001) sheeets and C-H?O inter-actions and aromatic ?-? stacking [centroid-centroid separation = 3.6176?(19)?Å] help to consolidate the packing.

| S-EPMC3007351 | biostudies-literature

3,9-Dimethyl-2,3-dihydro-phenanthro[1,2-b]furan-4,5-dione.

Project description:The title compound, C(18)H(14)O(3), consists of a four-ring system which contains three six-membered rings forming a phenanthrene-dione system and a five-membered 1,2-dihydro-methyl-furan ring. A three-dimensional supra-molecular framework is formed via non-classical inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2971911 | biostudies-literature

3-Phenyl-tetra-hydro-furan-2,5-dione.

Project description:In the title compound, C(10)H(8)O(3), the dihedral angle between the approximately planar tetra-hydro-furan-2,5-dione ring [maximum deviation 0.014?(3)?Å] and the phenyl ring is 85.68?(8)°. Weak C-H?O=C inter-molecular hydrogen-bonding contacts are observed in the structure.

| S-EPMC2968078 | biostudies-literature

Crystal structure of 3-(tri-phenyl-phosphoranyl-idene)-2,5-di-hydro-furan-2,5-dione tetra-hydro-furan monosolvate.

Project description:The title pseudo-polymorph of 3-(tri-phenyl-phospho-ranyl-idene)-2,5-di-hydro-furan-2,5-dione crystallizes with a tetra-hydro-furan solvent mol-ecule, viz. C22H17O3P·C4H8O. The succinic anhydride ring is approximately planar (r.m.s. deviation = 0.032 Å). The tetra-hydro-furan mol-ecule is disordered over two orientations about a pseudo-twofold axis with refined occupancy ratio 0.718 (4):0.282 (4). In the crystal, C-H⋯O hydrogen bonds link mol-ecules of the di-hydro-furan-2,5-dione derivative into chains parallel to the b axis and arranged into layers stacked along [100] alternating with hydrogen-bonded tetra-hydro-furan layers.

| S-EPMC6127696 | biostudies-literature

8-Chloro-methyl-5-(2,5-dioxooxolan-3-yl)-3,3a,4,5-tetra-hydro-1H-naphtho-[1,2-c]furan-1,3-dione.

Project description:The title compound, C17H13ClO6, is an asymmetric alicyclic dianhydride containing a chloro-methyl-substituted tetra-hydro-naphthalene moiety. The cyclo-hexene ring in the tetra-hydro-naphthalene moiety exhibits an envelope conformation with the tertiary C atom as the flap The dihedral angle between the two anhydride rings is 79.96 (6)°, while those between the benzene ring and the non-fused and fused anhydride rings are 71.03 (5) and 42.57 (7)°, respectively. In the crystal, mol-ecules are connected by weak C-H⋯O inter-actions, forming a three-dimensional supramolecular structure.

| S-EPMC3772467 | biostudies-literature

(4S)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetra-hydro-4H-spiro-[1,2-oxazolo[5,4-b]quinoline-4,3'-indole]-2',5-dione.

Project description:In the title compound, C20H18ClN3O3, the five- and six-membered heterocycles fused through a spiro C atom are inclined to each other at an angle of 87.4 (1)°. In the tricyclic ring system, the cyclo-hexene ring adopts an envelope conformation with the spiro atom as the flap. In the crystal, two sets of N-H⋯O hydrogen bonds link the mol-ecules into columns containing centrosymmetric R 2 (2)(7) ring motifs and propagating along the b-axis direction.

| S-EPMC3998327 | biostudies-literature

catena-Poly[[(tetra-hydro-furan-κO)lithium(I)]-bis-(μ-trimethyl-silanolato-κO:O)-gallium(III)-bis-(μ-trimethyl-silanolato-κO:O)-[(tetra-hydro-furan-κO)lithium(I)]-μ-bromido].

Project description:The title chain polymer compound, [GaLi(2)Br(C(3)H(9)OSi)(4)(C(4)H(8)O)(2)](n), was obtained in the reaction of GaBr(3) with Me(3)SiOLi in toluene/tetra-hydro-furan. The Ga(III) atom, located on a twofold rotation axis, is coordinated by four trimethyl-silanolate ligands and has a distorted tetra-hedral geometry. The Li(I) atom is four coordinated by one bridging Br atom located on an inversion centre, two trimethyl-silanolate ligands and one tetra-hydro-furane mol-ecule in a distorted tetra-hedral geometry. The polymeric chains extend along [001]. The tetra-hydro-furane mol-ecule is disordered over two positions with site-occupancy factors of 0.57 (2) and 0.43 (2).

| S-EPMC2983186 | biostudies-literature

1,3,3-Trimethyl-1,2,3,4-tetra-hydro-pyrido[1,2-a]benzimidazol-1-ol.

Project description:In the title compound, C(14)H(18)N(2)O, the benzimidazole grouping is close to planar, with a maximum deviation of 0.042 Å; the six-membered non-aromatic ring adopts an envelope conformation. In the crystal structure, mol-ecules are linked into infinite sheets lying parallel to the bc plane by O-H⋯N and C-H⋯O hydrogen bonds.

| S-EPMC3006987 | biostudies-literature

6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octa-hydro-naphtho[1,2-c]furan-1(3H)-one.

Project description:In the crystal structure of the title compound, C(15)H(22)O(2), the cyclo-hexene and cyclo-hexane rings adopt half-boat and chair conformations, respectively, and the lactone ring is in an envelope conformation.

| S-EPMC2960948 | biostudies-literature

(<i>Z</i>)-4,5-Di-bromo-3,3,6,6-tetra-methyl-2,3,6,7-tetra-hydro-thiepine-1,1-dione.

Project description:The crystal of the title compound, C10H16Br2O2S, is formed from layers built from centrosymmetric pairs of mol-ecules. The mol-ecule adopts a twist conformation with the carbon atoms next to sulfur above or below the mean plane.

| S-EPMC9912316 | 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