X-ray diffraction study of liquid tertiary butyl alcohol at 26 °C

The x-ray diffraction pattern of liquid tertiary butyl alcohol (CMe3OH) near the melting point has been measured. The data are analyzed to yield the molecular structure. The distinct structure function Hd(k) derived from the data is compared with that obtained previously for liquid neopentane (CMe4). The replacement of one methyl group in CMe4 by a hydroxyl group to produce CMe3OH results in significant changes in Hd(k). The data show clearly that hydrogen-bonded hydroxyl groups occur in liquid CMe3OH with an O⋅⋅⋅O distance of 2.74 Å, and that each hydroxyl group has two nearest neighbors at this distance.