Molecular and Crystal Structure of Hexamethylenetetramine Triphenol

The crystal structure of a 1:3 adduct of hexamethylenetetramine (HMT) and phenol has been determined using three‐dimensional x‐ray data. The crystals are trigonal, with $\text{a\hspace{0.17em}=\hspace{0.17em}14.88 Å, c\hspace{0.17em}=\hspace{0.17em}6.007 Å}$ , and space group $\text{P3̄}$ . Three phenol molecules are linked to each HMT molecule through O–H···N hydrogen bonds in the form of a three‐leaved propeller, and the crystal structure is based on a packing of such HMT triphenol units. A notable structural feature is the hollow channel parallel to $c$ through the origin and surrounded by the free ends of the phenyl rings. Although the channel is too narrow in places for the enclosure of guest molecules, reorientation of the phenol groups might allow sufficient expansion for the accommodation of normal aliphatic hydrocarbons and their straight‐chain derivatives.