Acta Crystallographica Section C

Volume 65, Part 7 (July 2009)


organic compounds



sk3319 scheme

Acta Cryst. (2009). C65, o361-o364    [ doi:10.1107/S0108270109021106 ]

4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate

S. R. Jebas, A. Sinthiya, B. Ravindran Durai Nayagam, D. Schollmeyer and S. A. C. Raj

Abstract: In the title compounds, 4-aminopyridinium 4-aminobenzoate dihydrate, C7H6NO2-·C5H7N2+·2H2O, (I), and 4-aminopyridinium nicotinate, C5H7N2+·C6H4NO2-, (II), the aromatic N atoms of the 4-aminopyridinium cations are protonated. In (I), the asymmetric unit is composed of two 4-aminopyridinium cations, two 4-aminobenzoate anions and four water molecules, and the compound crystallizes in a noncentrosymmetric space group. The two sets of independent molecules of (I) are related by a centre of symmetry which is not part of the space group. In (I), the protonated pyridinium ring H atoms are involved in bifurcated hydrogen bonding with carboxylate O atoms to form an R12(4) ring motif. The water molecules link the ions to form a two-dimensional network along the (10\overline{1}) plane. In (II), an intramolecular bifurcated hydrogen bond generates an R12(4) ring motif and inter-ion hydrogen bonding generates an R42(16) ring motif. The packing of adduct (II) is consolidated via N-H...O and N-H...N hydrogen bonds to form a two-dimensional network along the (10\overline{2}) plane.

Formula: C5H7N2+·C7H6NO2-·2H2O and C5H7N2+·C6H4NO2-


hkldisplay filedownload file

Structure factor file (CIF format) (125.6 kbytes)
[ doi:10.1107/S0108270109021106/sk3319Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (96.4 kbytes)
[ doi:10.1107/S0108270109021106/sk3319IIsup3.hkl ]
Contains datablock II


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