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

• Main Author: Kai-Long Zhong
• Format: Article
• Language: English
• Published: International Union of Crystallography 2013-12-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536813030857

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.