Abstract
The rotation spectra of 14 isotopic forms of 1,2,3-thiadiazole have been analysed by double resonance modulation (DRM) microwave spectroscopy, which permitted all species involving 34S, 13C and 15N to be studied in their natural abundances. From the data the complete substitution structure of this compound was determined independently in the axis frame of the normal species and with respect to the principal axes of the 5- d 1 species. The two sets of structure parameters were found to be in good agreement with each other. The bond lengths (in A, uncertainties < 0.001 A) and bond angles (in degrees, uncertainties < 0.1°) of 1,2,3-thiadiazole are: • S(1) - N(2) = 1.6917 C(5)S(1)N(2) = 92.91 • N(2) - N(3) = 1.2897 S(1)N(2)N(3) = 111.21 • N(3) - C(4) = 1.3662 N(2)N(3)C(4) = 113.95 • C(4) - C(5) = 1.3686 N(3)C(4)C(5) = 114.15 • C(5) - S(1) = 1.6888 C(4)C(5)S(1) = 107.79 • C(4) - H(4) = 1.0779 N(3)C(4)H(4) = 119.23 • C(5) - H(5) = 1.0805 C(4)C(5)H(5) = 129.36 These data suggest a high degree of double bond character in the C(4)C(5) and N(2)N(3) bonds of 1,2,3-thiadiazole.
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