Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate

• Main Authors: Sanaz Khorasani, Manuel A. Fernandes
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-09-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812036501

The title organic salt, 6C3H10N+·C10H2O84−·C10H4O82−·4H2O, contains seven independent entities in the asymmetric unit which comprises three propylammonium cations, two water molecules, half a 2,5-dicarboxybenzene-1,4-carboxylate dianion (H2btc2−) and half a benzene-1,2,4,5-tetracarboxylate tetraanion (btc4−), the latter two anions being located about centres of inversion. One of the water molecules is disordered over two positions in a 0.55 (2):0.45 (2) ratio. The combination of molecular ions and water molecules results in an extensive and complex three-dimensional network of hydrogen bonds, the network being made up of nine unique N—H...O interactions between the ammonium cations and the anions, as well as four unique O—H...O interactions between the water molecules and the anions.