Abstract
Solid-state reactions of 3,5-dimethyl-1H-pyrazole (dmpz) and salicylic acid (sa) in different stoichiometries afford two different trimers whose structures have been determined by X-ray diffraction and analyzed by 13C and 15N solid-state nuclear magnetic resonance spectroscopy. GIAO absolute shieldings at the B3LYP/6-311++G** level have been calculated and compared with the experimental chemical shifts. Hydrogen-bond interactions between dmpz and sa provide sufficient driving force to direct molecular recognition and crystal packing.
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