Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

10-Benzoyl-phenanthrene-8,9-dicarboxylic anhydride.

ABSTRACT: The asymmetric unit of the title compound, C(23)H(12)O(4), contains two nearly parallel independent mol-ecules; the dihedral angles between the phenanthrene ring systems of the two mol-ecules and between the benzene rings of the two mol-ecules are 4.97?(9) and 8.1?(2)°, respectively. In each mol-ecule, the benzene ring is nearly perpendicular to the phenanthrene ring system, with dihedral angles of 86.42?(19) and 86.68?(18)°. ?-? stacking exists between the phenanthrene ring systems of the two independent mol-ecules [centroid-centroid distance = 3.698?(2)?Å]. Short intermolec-ular contacts [O?O = 2.86?(2) and C?O = 2.88?(2)?Å] are also present in the crystal structure.

SUBMITTER: Yu HT

PROVIDER: S-EPMC2980053 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

10-Benzoyl-phenanthrene-8,9-dicarboxylic anhydride.

Yu Hai-Tao HT Wei Yi Y Zhang Yan Y

Acta crystallographica. Section E, Structure reports online 20091212 Pt 1

The asymmetric unit of the title compound, C(23)H(12)O(4), contains two nearly parallel independent mol-ecules; the dihedral angles between the phenanthrene ring systems of the two mol-ecules and between the benzene rings of the two mol-ecules are 4.97 (9) and 8.1 (2)°, respectively. In each mol-ecule, the benzene ring is nearly perpendicular to the phenanthrene ring system, with dihedral angles of 86.42 (19) and 86.68 (18)°. π-π stacking exists between the phenanthrene ring systems of the two i ...[more]

PMID: 21580022

Similar Datasets

Efficient Adsorption on Benzoyl and Stearoyl Cellulose to Remove Phenanthrene and Pyrene from Aqueous Solution.

Project description:Benzoyl and stearoyl acid grafted cellulose were synthesized by a simple chemical grafting method. Using these as chemical adsorbents, polycyclic aromatic hydrocarbons (PAHs), like pyrene and phenanthrene, were effectively removed from aqueous solution. The structural and morphological properties of the synthesized adsorbents were determined through X-ray diffraction analysis (XRD), thermal gravimetric analysis (TGA), Fourier transform infrared (FT-IR), FE-SEM, and NMR analyses. Through this method, it was confirmed that benzoyl and stearoyl acid were successfully grafted onto the surface of cellulose. The 5 mg of stearoyl grafted cellulose (St⁻Cell) remove 96.94% pyrene and 97.61% phenanthrene as compared to unmodified cellulose, which adsorbed 1.46% pyrene and 2.99% phenanthrene from 0.08 ppm pyrene and 0.8 ppm phenanthrene aqueous solution, suggesting that those results show a very efficient adsorption performance as compared to the unmodified cellulose.

| S-EPMC6403814 | biostudies-literature

11-(4-Methyl-phen-yl)-8,9-dihydro-7H-benzo[f]cyclo-penta-[b]quinolin-10(11H)-one.

Project description:In the title compound, C(23)H(19)NO, the naphthalene ring system and the cyclo-pent-2-enone ring exhibit planar conformations with maximum deviations of 0.034 (1) and 0.02 (1) Å, respectively. The 1,4-dihydro-pyridine ring adopts an envelope conformation with the C atom bearing the p-tolyl ring as the flap atom. Inter-molecular N-H⋯O hydrogen bonds and C-H⋯π inter-actions stabilize the crystal packing.

| S-EPMC3435758 | biostudies-literature

Synthesis of cyclooxygenase metabolites of 8,9-epoxyeicosatrienoic acid (EET): 11- and 15-hydroxy 8,9-EETs.

Project description:COX metabolites of 8,9-EET, previously observed as potent mitogenic lipid mediators, were synthesized for the first time by using two synthetic approaches. These synthetic materials allow for structural confirmation of COX metabolites of 8,9-EET and further study of their biological roles.

| S-EPMC5527127 | biostudies-literature

?-Costic anhydride.

Project description:THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl)acrylic acid anhydride], C(30)H(42)O(3), is a new isocostic anhydride which was synthesized from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The mol-ecule adopts an essentially linear shape with two terminal fused-rings bridged by the anhydride group. The external rings have the same conformation (half-chair) while each of the two inner rings has an almost ideal chair conformation. In the crystal, inter-molecular C-H?O inter-actions link the mol-ecules into a two-dimensional array in the bc plane.

| S-EPMC2983650 | biostudies-literature

3,6-Dibromo-phenanthrene.

Project description:The phenanthrene ring in the title compound, C(14)H(8)Br(2), is approximately planar [maximum deviation = 0.039?(3)?Å]. In contrast, the two bromo atoms are displaced slightly from the phenanthrene plane [maximum deviation = 0.1637?(3)?Å]. In the crystal, the mol-ecules adopt a herringbone-like arrangement and form face-to-face slipped ?-? stacking inter-actions along the b axis, with an inter-planar distance of 3.544?(3)?Å and slippage of 1.81?Å. The crystal studied was a racemic twin with a minor twin fraction of 0.390?(10).

| S-EPMC3515201 | biostudies-other

Antidiarrheal Thymol Derivatives from Ageratina glabrata. Structure and Absolute Configuration of 10-Benzoyloxy-8,9-epoxy-6-hydroxythymol Isobutyrate.

Project description:Chemical investigation of the leaves from Ageratina glabrata yielded four new thymol derivatives, namely: 10-benzoyloxy-8,9-dehydro-6-hydroxythymol isobutyrate (4), 10-benzoyloxy-8,9-dehydrothymol (5), 10-benzoyloxythymol (6) and 10-benzoyloxy-6,8-dihydroxy-9-isobutyryl-oxythymol (7). In addition, (8S)-10-benzoyloxy-8,9-epoxy-6-hydroxythymol isobutyrate (1), together with other two already known thymol derivatives identified as 10-benzoyloxy-8,9-epoxy-6-methoxythymol isobutyrate (2) and 10-benzoyloxy-8,9-epoxythymol isobutyrate (3) were also obtained. In this paper, we report the structures and complete assignments of the ¹H and (13)C-NMR data of compounds 1-7, and the absolute configuration for compound 1, unambiguously established by single crystal X-ray diffraction, and evaluation of the Flack parameter. The in vitro antiprotozoal assay showed that compound 1 and its derivative 1a were the most potent antiamoebic and antigiardial compounds. Both compounds showed selectivity and good antiamoebic activity comparable to emetine and metronidazole, respectively, two antiprotozoal drugs used as positive controls. In relation to anti-propulsive effect, compound 1 and 1a showed inhibitory activity, with activities comparable to quercetin and compound 9, two natural antipropulsive compounds used as positive controls. These data suggest that compound 1 may play an important role in antidiarrheal properties of Ageratina glabrata.

| S-EPMC6274089 | biostudies-other

9,10-Dibromo-phenanthrene.

Project description:The mol-ecule of the title compound, C(14)H(8)Br(2), is almost planar [maximum deviation 0.0355?(7)?Å] and possesses crystallographic twofold (C2) symmetry. In the crystal, the mol-ecules form face-to-face slipped anti-parallel ?-? stacking inter-actions along the c axis with an inter-planar distance 3.471?(7)?Å, centroid-centroid distances of 3.617?(5)-3.803?(6)?Å.

| S-EPMC3515267 | biostudies-literature

9,10-Diiodo-phenanthrene.

Project description:The whole mol-ecule of the title compound, C14H8I2, is generated by crystallographic twofold symmetry. The mol-ecule is planar [maximum deviation = 0.0323 (6) Å] with the I atoms displaced from the mean plane of the phenanthrene ring system by only 0.0254 (5) Å. In the crystal, mol-ecules form face-to-face slipped anti-parallel π-π stacking inter-actions along the c axis with an inter-planar distance of 3.499 (7) Å.

| S-EPMC3588929 | biostudies-literature

Toughening Anhydride-Cured Epoxy Resins Using Fatty Alkyl-Anhydride-Grafted Epoxidized Soybean Oil.

Project description:The aim of this work is to develop a series of advanced biobased tougheners for thermosetting epoxy resins suitable for high-performance applications. These bio-rubber (BR) tougheners were prepared via a one-step chemical modification of epoxidized soybean oil using biobased hexanoic anhydride. To investigate their toughening performance, these BR tougheners were blended with diglycidyl ether of bisphenol A epoxy monomers at various weight fractions and cured with anhydride hardeners. Significant improvements in fracture toughness properties, as well as minimal reductions in glass transition temperature (Tg), were observed. When 20 wt % of a BR toughener was utilized, the critical stress intensity factor and critical strain energy release rate of a thermosetting matrix were enhanced by >200 and >500%, respectively, whereas the Tg was reduced by only 20 °C. The phase-separated domains were evenly dispersed across the fracture surfaces as observed through scanning electron microscopy and atomic force microscopy. Moreover, domain sizes were demonstrated to be tunable within the micrometer range by altering the toughener molecular structure and weight fractions. These BR tougheners demonstrate the possibility of achieving toughness while having the thermal properties of standard bisphenol epoxy thermosetting resins.

| S-EPMC6045475 | biostudies-literature

N-Phenyl-anthranilic anhydride.

Project description:The complete mol-ecule of the title compound, C(26)H(20)N(2)O(3), is generated by crystallographic twofold symmetry, with the central O atom lying on the rotation axis. The conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond. The dihedral angle between the inner and outer aromatic ring planes is 61.12 (5)°.

| S-EPMC2977726 | 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