1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol (H) forms inclusion compounds with 2-, 3-, and
4-aminobenzonitrile (2ABN, 3ABN, and 4ABN). In each case the host:guest ratio is 1:2 and the structures are
stabilized by hydrogen bonds. Competition experiments show that the host selects the guests in order of
preference of 2ABN > 3ABN > 4ABN. These results are in general agreement with lattice energy calculations,
thermal analyses, and solid-state reactions. The structure of the solid formed between H and a mixture of
3ABN and 4ABN has also been elucidated.
The crystal structure of methyl paraben was elucidated at 113K (1), while the structure at room temperature (2) has been determined previously (Lin, X. T. Chin. J. Struct. Chem. 1983 , 2 (3), 213). There is a slight lengthening of the b axis in the low-temperature structure and twisting of the ester group resulting in small but statistically significant differences in the PXRD patterns between 1 and 2. The phase transformation occurs gradually over the full temperature range (293-113 K).
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