Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)

organic compounds

Acta Cryst. (2013). E69, o1782-o1783    [ doi:10.1107/S1600536813030857 ]

2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tri­carb­oxy­benzoate monohydrate

K.-L. Zhong

Abstract: In the preparation of the title hydrated salt, C14H13N2+·C10H5O8-·H2O, a proton has been transfered to the 2,9-dimethyl-1,10-phenanthrolinium cation, forming a 2,4,5-tri­carb­oxy­benzoate anion. In the anion, the mean planes of the protonated carboxyl­ate groups form dihedral angles of 11.0 (5), 4.4 (5) and 80.3 (4)° with the benzene ring to which they are attached. The mean plane of the deprotonated carboxyl­ate group forms a dihedral angle of 10.6 (5)° with the benzene ring. In the crystal, the anions are involved in carb­oxy­lic acid O-H...Ocarbox­yl hydrogen bonds, generating a two-dimensional network parallel to (001) containing R44(28) and R44(32) motifs. The 2,9-dimethyl-1,10-phenanthrolinium cations and water mol­ecules reside between the anion layers and are connected to the anions via N-H...Owater and Owater-H...Ocarbox­yl hydrogen bonds. An intra­molecular O-H...O hydrogen bond is also observed in the anion.

CCDC reference: 971237

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