Preparation and Reactions of 1-(Nitroguanyl)aziridines

Lowe, James U.; Oda, Takahiko A.; Evans, Robert

doi:10.1021/jo01041a014

Cited by 7 publications

(5 citation statements)

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“…In propene and acetaldehyde the eclipsed conformation of one methyl C--H bond with the adjacent double bond is energetically more favourable by 8.37 and 4.90kJmo1-1, respectively (Lowe, 1968;Kilb, Lin & Wilson, 1957;Wiberg & Martin, 1985, and references therein). The origin of this effect is seen in increased bond-pair repulsion due to H/H eclipsing occurring in the bisecting conformation, which is augmented by an unfavourable interaction of the other two C--H bonds with the C---C or C=O rr-orbitals in this conformation.…”

Section: Crystal and Molecular Structurementioning

confidence: 99%

Methyl group conformation-determining intermolecular C–H...O hydrogen bonds: structure of N-methyl-2-pyrrolidone

Müller¹,

Lutz²,

Harder³

1996

Acta Crystallogr Sect B

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Section: Crystal and Molecular Structurementioning

confidence: 99%

Methyl group conformation-determining intermolecular C–H...O hydrogen bonds: structure of N-methyl-2-pyrrolidone

Müller¹,

Lutz²,

Harder³

1996

Acta Crystallogr Sect B

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“…However, this method has distinct advantages over RRKM calculations in the present case, since the effect of varying A , and Em may be examined without the need to make vibrational assignments for the transition states. An approximate vibrational assignment was made for the acetyl radical by comparison with acetaldehyde [ 191: the hindered rotation about the C-C bond in acetaldehyde, of barrier 4.85 kJ mol-' [20], was replaced by a vibration at 128 cm-'.…”

Section: Pmbimentioning

confidence: 99%

The photolysis of 3,3‐dimethylbutan‐2‐one (methyl t‐butyl ketone) and the decomposition of the acetyl radical

Frey

Vinall

1973

Int J of Chemical Kinetics

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Abstract'The photolysis of 3,3dimethylbutan-Z-one (MTBK) has been studied in the gas phase at 408 and 326 K, mainly with light of 313 nm wavelength. At the higher temperature, the major products were methane, ethane, isobutane, isobutene, neopentane, tetramethylbutane, and carbon monoxide. At 326 K, in addition to these products, appreciable quantities of acetaldehyde, acetone, and biacetyl were detected. Quantum yields were determined using acetone and pentan-3-one as actinometers. A conventional mechanism is able to explain most of the experimental data. At 326 K, the results may be interpreted to yield a value for the rate constant for decomposition of the acetyl radical. Some theoretical calculations are reported on the acetyl radical decomposition and some earlier experimental work on this radical reevaluated.

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“…In calculating minimum potential (21) energy, energies of bond-length distortion and angle bending were determined by using average values of force constants reported by Nakagawa & Shimanouchi (1966), Schachtsctmeider & Snyder (1963 and Westheimer (1956). For torsional energy and energy of non-bonded interaction, the expressions of Lowe (1968) and of Liquori, Damiani & Elefante (1968) were used respectively.…”

Section: Determination and Refinement Of The Structurementioning

confidence: 99%

The crystal structure of (−)589-tris-[(+)-trans-1,2-diaminocyclopentane]cobalt(III) chloride tetrahydrate, (−)589-[Co(+cptn)3]Cl3.4H2O

Ito¹,

Marumo²,

Saito³

1971

Acta Crystallogr Sect B

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The crystal structure of (-)s89-tris-(+ trans-1,2-diaminocyclopentane)cobalt(IIl) chloride tetrahydrate, (-)589[Co(+cptn)3]C13.4H20, has been determined from three-dimensional data collected by a diffractometer. The structure was refined by the full-matrix least-squares method. Refinement was unusually difficult due to large correlation coefficients between parameters, associated with a non-orthogonality of the a and b axes. The final R index is 0.12 for 786 observed reflexions. Crystals are hexagonal with space group P6122. Lattice constants are a= 11.871, c= 30"803 A, with six formula units in the unit cell. The complex ion is mononuclear with pseudo-symmetry D3. Three ligands are bonded to the cobalt atom through six nitrogen atoms. The five-membered chelate rings are not planar. Their shape and size are similar to those of [Co(en)3] 3÷. The conformation of the chelate ring is '/el'. The cyclopentane rings take half-chair conformation. Some strain is introduced in the bond angles of the chelate ring due to fused-ring formation.A C 27B -10

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Preparation and Reactions of 1-(Nitroguanyl)aziridines

Cited by 7 publications

References 0 publications

Methyl group conformation-determining intermolecular C–H...O hydrogen bonds: structure of N-methyl-2-pyrrolidone

Methyl group conformation-determining intermolecular C–H...O hydrogen bonds: structure of N-methyl-2-pyrrolidone

The photolysis of 3,3‐dimethylbutan‐2‐one (methyl t‐butyl ketone) and the decomposition of the acetyl radical

The crystal structure of (−)589-tris-[(+)-trans-1,2-diaminocyclopentane]cobalt(III) chloride tetrahydrate, (−)589-[Co(+cptn)3]Cl3.4H2O

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