D. Boyarskaya, M. Avdontceva, T. Chulkova
“Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide”
Acta Cryst. C, 2015, C71, 155-158
Acidic hydrogen containing 2-isocyano-4-methylphenyl diphenylacetate, C22H17NO2, (I), was synthesized by the base-promoted reaction between 5-methylbenzoxazole and diphenylacetyl chloride. Achiral (I) crystallizes in the chiral P212121 space group. The C[triple-bond]N bond length is 1.164 (2) Å and the angle between the OCO and 2-isocyano-4-methylphenyl planes is 69.10 (16)°. Molecules are linked via C=O…Hphenyl and bifurcated N[triple-bond]C…Hphenyl/N[triple-bond]C…Hmethine hydrogen bonds, forming one-dimensional arrays.