Reactions of 1,4-Dimethyl-4-nitro-cyclohexa-2,5-dien-1-yl Acetates With Nitrogen Dioxide; the Formation of Polynitro Cyclohexenyl Esters

1991 ◽  
Vol 44 (1) ◽  
pp. 43 ◽  
Author(s):  
AD Abell ◽  
MP Hartshorn ◽  
ME Maclennan ◽  
WT Robinson ◽  
GJ Wright
Keyword(s):  
Crystal Structure ◽  
Acetic Anhydride ◽  
Nitrogen Dioxide ◽  
Aromatic Compounds ◽  
X Ray ◽  
Nitrate Esters ◽  
Structure Determinations ◽  
Nitro Aromatic

Reactions of the epimeric 4-nitrocyclohexa-2,5-dienyl acetates (10) and (11) with nitrogen dioxide in acetic anhydride give closely similar mixtures of the nitro aromatic compounds (12)-(15), three polynitro nitrate esters (16)-(18), and two polynitro acetates (19) and (20). X-Ray crystal structure determinations are reported for compounds (16)-(18).

The Nitration of p-Cymene With Nitrogen Dioxide in Acetic Anhydride

1989 ◽  
Vol 42 (12) ◽  
pp. 2143 ◽  
Author(s):  
MP Hartshorn ◽  
WT Robinson ◽  
AG Waller ◽  
GJ Wright
Keyword(s):  
Acetic Anhydride ◽  
Nitrogen Dioxide ◽  
Aromatic Compounds ◽  
X Ray ◽  
Nitro Aromatic

Reaction of p-cymene (1) with nitrogen dioxide in acetic anhydride gives polynitro nitrates (4)-(10), polynitro acetates (11)-(13), and nitro aromatic compounds (14)-(17). X-Ray crystal analyses are reported for compounds (5)-(9), (11) and (12).

The Nitration of 4,6-Disubstituted 2-Phenylphenols. Some Structural Studies

1985 ◽  
Vol 38 (4) ◽  
pp. 575 ◽  
Author(s):  
MP Hartshorn ◽  
WT Robinson ◽  
J Vaughan ◽  
JM White
Keyword(s):  
Crystal Structure ◽  
Nitrogen Dioxide ◽  
Structural Studies ◽  
X Ray ◽  
Structure Determinations

Nitration of the bromophenols (4a) and (5a) give products of nitro-debromination . Reaction of 6-methyl-4-nitro-2-phenylphenol (5c) with nitrogen dioxide gives 2-hydroxy-2-phenylcyclohex-3-enones (8) and (9), and probably stereoisomers (10), (20), (21) and (22). The mode of ormation of these compounds is discussed. X-ray crystal structure determinations are reported for compounds (8) and (9).

Photochemical Nitration by Tetranitromethane. XXXII. Adduct Formation in the Photochemical Reaction of Phenanthrene and Tetranitromethane

1996 ◽  
Vol 49 (4) ◽  
pp. 469
Author(s):  
CP Butts ◽  
L Eberson ◽  
KL Fulton ◽  
MP Hartshorn ◽  
WT Robinson
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Nitrogen Dioxide ◽  
Photochemical Reaction ◽  
Charge Transfer Complex ◽  
Major Product ◽  
Adduct Formation ◽  
X Ray ◽  
Structure Determinations ◽  
Ion Recombination

Photolysis of the phenanthrene/tetranitromethane charge-transfer complex yields the triad of phenanthrene radical cation, nitrogen dioxide, and trinitromethanide ion. Recombination of this triad in dichloromethane at 20° gives 9-nitrophenanthrene (1), trans-10-trinitromethyl-9,10-dihydrophenanthren-9-yl nitrate (2a), trans-9-nitro-10-trinitromethyl-9,10-dihydrophenanthrene (2b), and trans-10-trinitromethyl-9,10-dihydrophenanthren-9-ol (2c). Adduct formation is partially suppressed when trifluoroacetic acid (0.7 M) is added to the dichloromethane solvent at 20°, the major product identified being 9-nitrophenanthrene (1). At -20° in dichloromethane, or in acetonitrile at 20°, 10'-nitro-9,9',10,10'-tetrahydro-9,9'-biphenanthren-10-yl nitrate (3) is formed, apparently by reaction of nitrogen dioxide with phenanthrene. X-Ray crystal structure determinations are reported for adducts (2a,b).

Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines

2000 ◽  
pp. 85-92 ◽  
Author(s):  
Moisés Canle L. ◽  
William Clegg ◽  
Ibrahim Demirtas ◽  
Mark R. J. Elsegood ◽  
Howard Maskill
Keyword(s):  
Crystal Structure ◽  
X Ray ◽  
Structure Determinations ◽  
Base Strength

Synthesis and X-Ray Crystal Structure Determinations of Pyrrolidine-2,4-diones, 2-Iminopyrrolidin-5-ones and 1,3-Oxazine-2,4-diones Derived from Acetoacetanilides

Heterocycles ◽  
2006 ◽  
Vol 68 (3) ◽  
pp. 465 ◽  
Author(s):  
John P. James ◽  
Thomas Duff ◽  
Helge Müller-Bunz
Keyword(s):  
Crystal Structure ◽  
X Ray ◽  
Structure Determinations

Synthesen und Kristallstrukturen von [PPh3Me]NO2 und [PPh3 Me]HCO2H2O / Syntheses and Crystal Structures of [PPh3Me]NO2 and [PPh3Me]HCO2H2O

1988 ◽  
Vol 43 (10) ◽  
pp. 1279-1284 ◽  
Author(s):  
Mervat El Essawi ◽  
H Gosmann ◽  
D Fenske ◽  
F Schmock ◽  
K Dehnicke
Keyword(s):  
Crystal Structure ◽  
Aqueous Solutions ◽  
Ir Spectra ◽  
Bond Angle ◽  
Water Molecules ◽  
Moist Air ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Structure Determinations

Triphenylmethylphosphonium nitrite and formate have been prepared by the reaction of [PPh3Me]I with silver nitrite, and lead formate, respectively, in aqueous solutions. [PPh3Me]NO2 (1) forms pale yellow crystals, and [PPh3Me]HCO2·H2O (2) forms white crystals. Both compounds are soluble in water, ethanol, and dichloromethane. In moist air 2 is hydrated to yield [PPh3Me]HCO2·2H2O (3). The compounds were characterized by their IR spectra, 1 and 2 also by X-ray crystal structure determinations.[PPh3Me]NO2 (1): space group P21/n, Z = 4, 2088 independent observed reflexions, R = 0.062. Lattice dimensions (20 °C): a = 914.7(3), b = 1887.5(9), c = 1080.0(4) pm, β = 110.29(3)°. The compound consists of PPh3Me+ ions and NO2- anions with bond lengths of 114.2(6) pm and a bond angle of 124.1(7)°. [PPh3Me]HCO2·H2O (2): space group P21/n, Z = 4, 2973 independent observed reflexions, R = 0.069. Lattice dimensions (-20 °C): a = 931(2), b = 1558(3), c = 1281(2) pm, β = 105.9(1)°. The compound consists of PPh3Me+ ions and formate anions which form centrosymmetric dimeric units [HCO2·H2O]22- through hydrogen bridges of the water molecules. Bond lengths CO 122.4(4) and 120.9(4) pm. bond angle OCO 129.9(4)°.

Monoolefincobalt(0)-Komplexe / Monoolefincobalt(0) Complexes

1988 ◽  
Vol 43 (10) ◽  
pp. 1256-1262 ◽  
Author(s):  
Hans-Friedrich Klein ◽  
Goetz Lull ◽  
Birgit Rodenhäuser ◽  
Gerhard Cordier ◽  
Helmut Paulus
Keyword(s):  
Crystal Structure ◽  
Carbon Monoxide ◽  
Valence State ◽  
Cobalt Atom ◽  
Spectroscopic Properties ◽  
X Ray ◽  
Mononuclear Cobalt ◽  
Structure Determinations

Mononuclear cobalt(o) complexes containing olefin and trimethylphosphane ligands Co(olefin)(PMe3)3 (olefin = C2H4 (1), C3H6 (2), cyclopentene (3), trans-1,2-diphenylethene (4), tetrafluorobenzo-bicyclo-(2.2.2)-octadiene (5)), are obtained from CoCl2 by reaction with magnesium in the presence of the ligands or by substitution of 3 with olefin. X-ray crystal structure determinations of 4 and 5 show a distorted tetrahedral arrangement of ligands around the cobalt atom. Chemical and spectroscopic properties are consistent with a paramagnetic valence state of the compounds in solution. By reaction with carbon monoxide a dicobalt complex is formed, while azobenzene gives paramagnetic Co(N2Ph2)(PMe3)2.

The X-ray crystal structure of 4-t-Butyl-r-2-(4'-t-butyl-2',6'-dimethyl-phenoxy)-t-6-hydroxy-2,6-dimethyl-t-5-nitrocyclohex-3-enone

1984 ◽  
Vol 37 (6) ◽  
pp. 1369
Author(s):  
MP Hartshorn ◽  
KH Sutton ◽  
J Vaughan
Keyword(s):  
Crystal Structure ◽  
Nitrogen Dioxide ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Reduced Pressure ◽  
X Ray

The X-ray crystal structure determination of 4-t-butyl-r-2-(4'-t-butyl-2',6'-dimethylphenoxy)-t-6- hydroxy-2,6-dimethyl-t-5-nitrocyclohex-3-enone (3) is reported. This compound is formed by reaction of 4-t-butyl-2,6-dimethylphenol(1) with nitrogen dioxide (1 mol) in benzene, followed by removal of the benzene under reduced pressure.

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