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The title compound (pMBA) was found to undergo a first-order phase transition at 211 K (T c1 ). Another transition with subtle enthalpy change appeared at 172 K (T c2 ). Crystal structure determinations at various temperatures revealed that the transition at T c1  was accompanied by remarkable changes in the molecular conformations around the CH 2 -C and O-CH 2  bonds and a reversal of the direction of the O-H O hydrogen bond. Experiments of  2 H NMR were carried out on pMBA-d where the hydroxyl hydrogen of pMBA was selectively deuterated. Analyses of the  2 H NMR spectra and the temperature dependence of T 1  of the  2 H NMR indicated occurrence of jumping motions of  2 H between asymmetric potential wells at temperatures lower than T c1

Phase Transitions, Hydrogen Bond and Crystal Dynamics of p-Methylbenzyl Alcohol as Studied by Single Crystal X-ray Diffraction and 2 H NMR