Synthesis, spectroscopic characterization and structural investigation of a new symmetrically trisubstituted benzene derivative: 3,3′,3′′-(Benzene-1,3,5-triyl)tripropiolic acid

• A new extended analogue of trimesic acid has been prepared.
• The structure of the compound is determined by single crystal X-ray diffraction.
• A new hydrogen bond motif of graph set R43(12) was obtained.

The new 1,3,5-trisubstituted benzene derivative 1 featuring three propiolic acid side arms symmetrically attached to a benzene core has been synthesized. Spectroscopic studies including 1H and 13C NMR as well as FTIR measurements were performed. The single crystal structure of 1 shows involvement of a water molecule giving rise to formation of a new 12-membered hydrogen bonded ring motif of graph set R43(12) while the packing is typically interspersed with channel-like voids of different dimension containing additional ethanol and water molecules which, however, could not be localized precisely.

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