Abstract
The molecular structure of pirprofen, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-α-methylbenzeneacetic acid, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of chloroform and toluene in triclinic, space groupP \(\bar 1\), witha=4.577(1),b=11.213(2),c=12.485(2) Å, α=107.39(1), β=97.79(1), γ=92.03(2), andZ=2. The calculated density is 1.384 g/cm3. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.034 for 1681 independent reflections. The non-aromatic dihydropyrrol group is found to be coplanar to the central aromatic ring. The molecules are dimerized through the intermolecular hydrogen bonds at the carboxyl group in the crystal.
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Kim, Y.B., Park, I.Y. The crystal structure of pirprofen (C13H14CINO2), A non-steroidal antiinflammatory agent. Arch. Pharm. Res. 19, 71–73 (1996). https://doi.org/10.1007/BF02976824
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DOI: https://doi.org/10.1007/BF02976824