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A hydrated 1:1 Complex between Niflumic Acid and Ethanolamine, $C_{13}H_8F_3N_2O_2^-.C_2H_8NO^+.H_2O$

By V Dhanaraj and M Vijayan


$M_r = 361.3$, triclinic, $P\={1}$, a = 6.239 (2), b = 11.280 (2), $c = 12.451 (2)\AA$ $\alpha = 101.2(1)$, $\beta = 92.3(1)$, and $\gamma = 99.9(1)^o$; $V = 844.123 \AA^3$, Z = 2, $D_x = 1.42$, $D_m = 1.42 (1) Mg m^{-3}$, $\lambda(CuK\alpha) = 1.5418 \AA$, $\mu = 1.102 mm^{-1}$, F(000) = 376, T = 293 K. Final R = 0.064 for 2150 observed reflections. The niflumic acid anions consist essentially of three planar groupings, namely, two six-membered rings and a carboxylate group attached to one of them. The invariant common structural features observed in the crystal structures of fenamates, namely, the coplanarity of the carboxyl group and the six-membered ring bearing it, and the internal hydrogen bond between the carboxyl group nd the imino N atom that bridges the two sixmembered rings, are retained in the complex. The amino N atom is gauche with respect to the terminal hydroxyl group in the ethanolamine cation. The complexation between the two molecules is achieved through ionic and hydrogen-bonded interactions involving the carboxylate group in niflumic acid

Topics: Molecular Biophysics Unit
Publisher: International Union of Crystallography
Year: 1983
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