Acta Crystallographica C 2015, C71, 155-158

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

DOI: 10.1107/S2053229615001588

15 02 11

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.

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