METHYL 2-[(2,6-DIMETHOXYPHENYL)ETHYNYL]BENZOATE

C18H16O4, M(r) = 296.3, orthorhombic, P2(1)2(1)2(1), a = 7.6025 (10), b = 13.948 (2), c = 14.428 (3) angstrom, V = 1530.0 (4) angstrom 3, Z = 4, D(x) = 1.286 g cm-3 at 298 K, lambda(Cu K-alpha) = 1.54184 angstrom, mu = 7.05 cm-1, F(000) = 624, 2918 unique data, final R = 0.034 for 2818 reflections with I > 3.0-sigma(I). Maximum deviations from planarity of the two aromatic rings are 0.004 (1) angstrom for the ring containing the methoxyl substituents and 0.012 (1) angstrom for the ring containing the ester substituent. The dihedral angle formed by the two rings is 4.7 (3)-degrees. The triple-bond distance is 1.195 (2) angstrom. The triple bond deviates markedly from linearity, as the bond angle about the ethynyl carbon bonded to the benzoate group is 170.5 (1)-degrees.