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• W1990530109 abstract "The molecular structure of gaseous p-bromonitrobenzene has been studied by the electron diffraction method. The torsion of the nitro group has been treated as a large-amplitude motion, and the barrier to internal rotation was found to be 4.2(8) kcal mol−1. The angular distortion of the benzene ring mainly affects the internal angles ∠αCCBrC = 122.6(2)° and ∠αCCNO2 C = 121.6(2)° which, as expected for electronegative substituents, are significantly larger than 120°. The other geometrical parameters are: ra(NO) = 1.239(2) Å, ra(CN) = 1.454(4) Å, ra(CBr) = 1.896(2) Å, ra(C1C2) = 1.393(4) Å, ra(C2C3) = 1.402(4) Å, ra(C3C4) = 1.395(3) Å, ra(CH) = 1.095(7) Å, ∠αCNO = 117.5(2)°. Values in parentheses are one standard deviation from the least-squares refinement using a diagonal weight matrix." @default.
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• W1990530109 date "1984-08-01" @default.
• W1990530109 modified "2023-09-27" @default.
• W1990530109 title "The molecular structure and barrier to internal rotation of p-bromonitrobenzene, determined by gas-phase electron diffraction" @default.
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• W1990530109 doi "https://doi.org/10.1016/0022-2860(84)85177-7" @default.
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