title: Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide.
abstract: 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...H(phenyl) and bifurcated N[triple-bond]C...H(phenyl)/N[triple-bond]C...H(methine) hydrogen bonds, forming one-dimensional arrays.
authors: Institute of Chemistry, Saint Petersburg State University, Universitetsky Pr. 26, Saint Petersburg, Russian Federation.
authors: Dina
authors: D
authors: Boyarskaya
authors: Institute of Earth Sciences, Saint Petersburg State University, Universitetskaya Nab. 7-9, Saint Petersburg, Russian Federation.
authors: Margarita
authors: M
authors: Avdontceva
authors: Institute of Chemistry, Saint Petersburg State University, Universitetsky Pr. 26, Saint Petersburg, Russian Federation.
authors: Tatiana
authors: T
authors: Chulkova
keywords: Passerini reactions; Ugi reactions; crystal structure; isocyanide chemistry; isonitrile