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An X-ray study of 2,4-hexadiyne-1,6-di(p – n-hexyloxy)benzoate was carried out ( R  = 0.060 for 3223 reflections). The molecule has a skew conformation with the pseudotorsion angle relative to the linear diacetylene moiety equal to −110.0(9)°. The non-ability to polymerization in solid state of the studied diacetylene is explained on the basis of crystal chemistry criteria. Cell parameters of two nearest homologues of the studied compound are determined (for one of them on a polymeric state).

The solid state polymerization of diacetylenes: I. Crystal and molecular structure of 2,4-hexadiyne-1,6-di(p–n-hexyloxy)benzoate