The molecular structure of 1,1-dimethyl-3-phenylpyrazolium-5-oxide |
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Authors: | Wilson H. De Camp James M. Stewart |
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Abstract: | The molecular structure of 1,1-dimethyl-3-phenylpyrazolium-5-oxide has been determined by a single crystal x-ray diffraction study. The crystals are monoclinic, space group P21/a, with unit cell dimensions a = 12.630 (5) Å, b = 6.644 (1) Å, c = 12.486 (5) Å, β = 99.17 (2)°. The final R value was 0.049 for 2930 reflections. The bond lengths and angles suggest that a significant contribution to the structure is made by a resonance form in which one of the ring bonds does not exist. No close intermolecular approaches were found. |
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