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The structure of 4‐methyl‐3‐[(tetrahydro‐2H‐pyran‐2‐yl)oxy]thiazole‐2(3H)‐thione (MTTOTHP) was investigated using X‐ray diffraction and computational chemistry methods for determining properties of the nitrogen—oxygen bond, which is the least stable entity upon photochemical excitation. Experimentally measured structure factors have been used to determine and characterize charge density via the multipole...
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