B. Bak, D. Christensen, W. Dixon
Nov 1, 1962
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Journal
Journal of Chemical Physics
Abstract
Microwave spectra of benzonitrile, C6H5CN, and 9 isotopic species are reported. Moments of inertia of these 10 molecules are combined to give the rs structure of benzonitrile. The final structure is: C(1)C(2) = 1.391 A, C(2)C(3) = 1.393 A, C(3)C(4) = 1.400 A, C(1)C(7) = 1.455 A, C≡N = 1.159 A, C(2)H(2) = 1.069 A, C(3)H(3) = 1.082 A, C(4)H(4) = 1.081 A, C(6)C(1)C(2) = 122.5°, C(1)C(2)C(3) = 118.45°, C(2)C(3)C(4) = 120.3°, C(3)C(4)C(5) = 120.0°, C(1)C(2)H(2) = 121.8°, C(4)C(3)H(3) = 119.9°.