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Propane-1,3-diaminium–2-carboxy­pyridine-6-carboxyl­ate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8)

By Janet Soleimannejad, Hossein Aghabozorg, Elham Motyeian, Mohammad Ghadermazi, Jafar Attar Gharamaleki and Harry Adams

Abstract

The title proton-transfer compound, C3H12N2 2+·2C7H4NO4 −·2C7H5NO4·8H2O or (pnH2)(pydcH)2.2(pydcH2)·8H2O, was obtained by the reaction of pyridine-2,6-dicarboxylic acid (pydcH2) and propane-1,3-diamine (pn) in aqueous solution. Both neutral and monoanionic forms of the diacid are observed in the crystal structure. The negative charge of two monoanions is balanced by the dicationic propane-1,3-diaminium species. In addition, considerable π–π stacking inter­actions between the aromatic rings of the (pydcH)− and (pydcH2) fragments [with centroid–centroid distances of 3.5108 (11)–3.5949 (11) Å] are observed. The most important feature of this crystal structure is the presence of a large number of O—H⋯O, O—H⋯N, N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonds, with D⋯A ranging from 2.445 (2) to 3.485 (3) Å. These inter­actions as well as ion pairing and π–π stacking connect the various fragments into a supra­molecular structure

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:2915292
Provided by: PubMed Central

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Citations

  1. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq
  2. (1997). SHELXS97 and SHELXL97. University of Go ¨ttingen, Germany. organic compounds o232 Soleimannejad et al. C3H12N2 2+ 2C7H4NO4 2C7H5NO4 8H2O Acta Cryst.
  3. (2007). The resulting compounds with some remaining sites as electron donors can coordinate to metallic ions
  4. Unit-cell packing diagram of the compound (I). Hydrogen bonds are indicated by dashed lines. Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate– pyridine-2,6-dicarboxylic acid–water (1/2/2/8) Crystal data

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