Abstract
In the title molecular salt, C4H7N2 (+)·C6H2N3O7 (-), the phenolic proton of the starting picric acid has been transferred to the imidazole N atom. The nitro groups are twisted away from the benzene ring plane, making dihedral angles of 12.8 (2), 9.2 (4) and 29.3 (2)°. In the crystal, the component ions are linked into chains along [010] via N-H⋯O and bifurcated N-H⋯(O,O) hydrogen bonds. These chains are further linked by weak C-H⋯O hydrogen bonds into a three-dimensional network. The complex three-dimensional network can be topologically simplified into a 4-connected uninodal net with the point symbol {4.8(5)}.
Highlights
In the title molecular salt, C4H7N2+C6H2N3O7, the phenolic proton of the starting picric acid has been transferred to the imidazole N atom
The component ions are linked into chains along [010] via N—H O and bifurcated N—H (O,O) hydrogen bonds. These chains are further linked by weak C—H O hydrogen bonds into a threedimensional network
In the crystal structure of (I), the component ions are linked into chains along [010] by N—H O hydrogen bonds (Table 1, Fig. 2), one of which is bifurcated, N—H (O,O)
Summary
Co-crystallization, the crystallization of more than one solid component into a new compound, forming a new co-crystal or molecular salt, is a well known research field involving, for example, active pharmaceutical ingredients (Aitipamula et al., 2015; Weyna et al, 2012; Robinson, 2010; Arenas-Garcıa et al., 2010) and crystal engineering (Manoj et al, 2014). 4-Methylimidazole is an often used pharmaceutical intermediate (Shimpi et al, 2014). Co-crystallization, the crystallization of more than one solid component into a new compound, forming a new co-crystal or molecular salt, is a well known research field involving, for example, active pharmaceutical ingredients (Aitipamula et al., 2015; Weyna et al, 2012; Robinson, 2010; Arenas-Garcıa et al., 2010) and crystal engineering (Manoj et al, 2014). 4-Methylimidazole is an often used pharmaceutical intermediate (Shimpi et al, 2014). The study of its crystallization can facilitate its related organic synthesis and theoretical optimization calculations. As a strong organic protondonating reagent, is often adopted 2as an organic acid in the synthesis of co-crystallized complexes. We report the crystal structure of the molecular salt, 4-methylimidazolium picrate, (I). Future work will concentrate on how the crystallization behavior is affected by the solvent and temperature
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