Received 6 March 2013
The asymmetric unit of the title salt C3H10N+·C10H5N4O7-·0.125H2O [trivial name: trimethylammonium 5-(2,4-dinitrophenyl)barbiturate 0.125-hydrate], contains two independent cations, two independent anions and a 0.25-occupancy solvent water molecule. In one of the cations, the C atoms are disordered over two sets of sites with refined occupancies of 0.538 (8) and 0.462 (8). In the anions, the dihedral angles between the pyrimidine and benzene rings are 42.77 (6) and 46.55 (7)°. In the crystal, N-HO hydrogen bonds connect anions and cations into chains along . Within these chains, R22(8) ring motifs are formed by inversion-related barbiturate anions. The H atoms of the partial occupancy water molecule were not located nor included in the refinement.
For the different types of anionic sigma complexes, see: Terrier (1982); Al-Kaysi et al. (2005). For the utility of spiro Meisenheimer complexes, see: Gallardo et al. (2007); Al-Kaysi et al. 2008). For the biological activity of carbanionic sigma complexes related to the title compound, see: Kalaivani et al. (2008); Kalaivani & Buvaneswari (2010). For the crystal structures of related barbiturates, see: Kalaivani & Malarvizhi (2009); Kalaivani et al. (2012). For hydrogen-bond graph-set motifs, see: Bernstein et al. (1995).
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5595 ).
The authors are thankful to the SAIF, IIT Madras, for the data collection.
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