Crystal structure of 3-ethynylbenzoic acid

Abstract : In the title compound, C9H6O2, the carb­oxy­lic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49 (18)°. In the crystal, mol­ecules are linked by pairs of O-H...O hydrogen bonds, forming classical acid-acid inversion dimers, with an R22(8) ring motif. The dimers are linked by pairs of C-H...O hydrogen bonds forming chains, enclosing R22(16) ring motifs, propagating along the c-axis direction.
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Submitted on : Monday, February 26, 2018 - 1:29:43 PM
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Chiara Venturini, Nicolas Ratel-Ramond, André Gourdon. Crystal structure of 3-ethynylbenzoic acid. Acta Crystallographica Section E: Crystallographic Communications, 2015, 71, pp.o750-o751. ⟨10.1107/S2056989015016515⟩. ⟨hal-01717452⟩



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