The title compound, C9H7NO2, was prepared by alkynylation of 4-iodonitrobenzene with 1,3-dilithiopropyne in the presence of 1 equivalent of CuI and catalytic amounts of Pd(PPh3)2Cl2. The complete molecule is generated by crystallographic twofold symmetry with the C—N and C—C[triple-bond]C—C units lying on the rotation axis. No directional interactions beyond normal van der Waals contacts could be identified in the packing.
The title compound, C22H22O5, crystallizes with two molecules in the asymmetric unit, one of which shows disorder of its ethyl acetate group over two sets of sites in a 0.880 (2):0.120 (2) ratio. The C[triple-bond]C distances in the two molecules are almost the same [1.1939 (16) and 1.199 (2) Å], but the Csp
3—C[triple-bond]C angles differ somewhat [175.92 (12) and 172.53 (16)°]. In the crystal, several weak C—H...O interactions are seen.
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