Search results for "BENZENE"

1986

The terpolymerization of the three monomers (3-vinyl phenylazo)methylmalodinitrile (1), (3-vinyl phenylazo)phenylsulfid (2) or 1-(3-vinylphenylazo)-1,1′-diphenyl methylacetate (3) with methyl methacrylate and butanediol-1,4-dimethyacrylate leads to networks in which the thermolabile azo groups remain intact. Both, the azo monomer and the crosslinking agent are essentially quantitatively incorporated into the network before the conversion of the third monomer is complete. The networks have been characterized in terms of their swelling in benzene, chlorobenzene, and methacrylonitrile. Die Terpolymerisation der drei Monomeren (3-Vinylphenylazo)-methylmalodinitril (1), (3-Vinylphenylazo)phenyls…

Surface relief grating recording in azobenzene epoxy films

2018

This work has been supported by National research program IMIS2. I would like to thank Larisa Grigorjeva and Aleksejs Zolotarjovs from Institute of Solid state physics, University of Latvia for FTIR measurements.

4-hydroxy-ONN-azoxybenzene

2000

The oxidation of 4-hydroxy­azo­benzene provided a mixture of two azoxy compounds, which were separated by column chromatography. The isomer with the higher melting point appeared to belong to the α (ONN) series, as determined by X-ray diffraction. The mol­ecule, C12H10N2O2, is almost planar. The benzene rings are twisted by 11.7 (2) (substituted) and 4.1 (1)° (unsubstituted) with respect to the ONN plane. The mol­ecules are connected to one another by strong O—H⋯O hydrogen bonds forming chains extended along [001], which are bound by much weaker C—H⋯O hydrogen bonds forming layers in the bc plane.

Disorder in the crystals of trans-4-fluoroazoxybenzene. Synthesis, spectral properties, crystal structures and DFT calculations

2005

Abstract Two crystals of trans-4-fluoroazoxybenzene were obtained using two different methods. Oxidation of 4-fluoroazobenzene provided crystals of trans-4-fluoroazoxybenzene (I) consisting of two isomers; 51% α (ONN) and 49% β (NNO) isomer. From trans-amino-azoxybenzenes in Schiemann reaction it were obtained crystals of trans-4-fluoro-NNO-azoxybenzenes (II, β isomer) containing 4.7% of the α-isomer according to the HPLC analysis. The crystal structures of I and II were determined by the X-ray diffraction method. In the crystal I two nitrogen atoms of azoxy bridge and fluorine atom are disordered. In the crystal II, there are two independent molecules of trans-4-fluoroazoxybenzene; the mol…

Zur Autoxydation von Polystyrol

1971

Die mit Azoisobuttersauredinitril (AIBN) initiierte Autoxydation von Polystyrol (PS) in Chlorbenzol bei 60°C ist von der Ordnung 0,75, bezogen auf AIBN, und 0,34, bezogen auf PS. Der niedrige Exponent der Polystyrolkonzentration weist neben intermolekularen Wachstumsschritten auf intramolekulare Reaktionsschritte bei der Autoxydation hin. Die bei der Autoxydation am Polystyrol gebildeten Hydroperoxidgruppen zerfallen in Essigsathylester als Losungsmittel mit einer Aktivierungsenthalpie von 19,7 kcal/Mol und einer Aktivierungsentropie von −29 cal/Mol Grad. Das spricht fur einen monomolekularen bifunktionellen Zerfallsmechanismus. Als fluchtige Produkte bei diesem Hydroperoxidzerfall werden P…

Indagini analitiche su campioni di verdure esposti al traffico veicolare

2009

Crystal structure of 5-(5,6-dihydrobenzo[4,5]imidazo[1,2-c]quinazolin-6-yl)-2-methoxyphenol

2015

In the molecule of the title compound, C21H17N3O2, the 5,6-dihydrobenzimidazo[1,2-c]quinazoline moiety is disordered over two orientations about a pseudo-mirror plane, with a refined occupancy ratio of 0.863 (2):0.137 (2). The dihedral angles formed by the benzimidazole ring system and the benzene ring of the quinazoline group are 14.28 (5) and 4.7 (3)° for the major and minor disorder components, respectively. An intramolecular O—H...O hydrogen bond is present. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming chains running parallel to [10-1].

1-Benz­yloxy-1H-benzotriazole

2012

In the title compound, C13H11N3O, the dihedral angle between the benzotriazole ring system [maximum deviation = 0.027 (16) Å] and the benzene ring is 10.28 (9)°. The C—C—O—N bond adopts an anti conformation [torsion angle = −177.11 (16)°]. In the crystal, the molecules interact via weak C—H...π interactions and aromatic π–π stacking [centroid-to-centroid distance = 3.731 (12) Å].

How far the substituent effects in disubstituted cyclohexa-1,3-diene derivatives differ from those in bicyclo[2.2.2]octane and benzene?

2018

Substituents effects in cyclic diene derivatives are studied using quantum chemical modeling and compared to the corresponding effects in aromatic (benzene) and fully saturated (bicyclo[2.2.2]octane) compounds. In particular, electronic properties of the fixed group Y in a series of 3- and 4-X-substituted cyclohexa-1,3-diene-Y derivatives (where Y = NO2, COOH, COO− OH, O−, NH2, and X = NMe2, NH2, OH, OMe, Me, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, NO) are examined using the B3LYP/6-311++G(d,p) method. For this purpose, quantum chemistry models of the substituent effect: cSAR (charge of the substituent active region) and SESE (substituent effect stabilization energy) as well as trad…

4-(4-Fluorophenyl)-2-methyl-3-(1-oxy-4-pyridyl)isoxazol-5(2H)-one

2008

The crystal structure of the title compound, C15H11FN2O3, was determined as part of a study on the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The dihedral angles between rings are isoxazole/benzene = 55.0 (3)°, isoxazole/pyridine = 33.8 (2)° and benzene/pyridine = 58.1 (2)°.