Abstract
2-Phenylethynylbenzoic acid shows a short intramolecular 1,5 C=O···spC contact with no significant in-plane distortion of bonding geometry at the sp C atom. However, there are angular distortions at the second sp C atom and the adjacent ipso C atom of the benzene ring, most likely because of optimization of the packing arrangement. Crystal data: C15H10O2, Mr = 222.23, a = 6.1890(10), b = 9.791(2), c = 18.849(4) Å, β = 97.14(2)°, monoclinic, P21/n, Z = 4.
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Hall, L.D., Orpen, G., Pilkington, M. et al. Molecular distortions in crystalline 2-phenylethynylbenzoic acid. Journal of Chemical Crystallography 31, 97–103 (2001). https://doi.org/10.1023/A:1013799207598
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DOI: https://doi.org/10.1023/A:1013799207598