Abstract
In the title compound, C6H6N4·2C7H6O2, the asymmetric unit contains a half-molecule of biimidazole and one benzoic acid molecule. The unit cell contains two biimidazole molecules and four benzoic acid molecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimidazole molecule is located on an inversion center (passing through the central C—C bond). Strong N—H⋯O and O—H⋯N hydrogen bonds link the benzoic acid molecules with the neutral biimidazole molecules, which lie in planar sheets. In the crystal packing, the parallel sheets are related by a twofold rotation axis and an inversion centre, respectively, forming an interwoven three-dimensional network via weak C=O⋯π intermolecular interactions between neighboring molecules.
Highlights
In the title compound, C6H6N42C7H6O2, the asymmetric unit contains a half-molecule of biimidazole and one benzoic acid molecule
H atoms treated by a mixture of independent and constrained refinement max = 0.20 e Å3
The biimidazole molecule is located on an inversion center
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.20 e Å3. R factor = 0.098; wR factor = 0.188; data-to-parameter ratio = 11.8. C6H6N42C7H6O2, the asymmetric unit contains a half-molecule of biimidazole and one benzoic acid molecule. The unit cell contains two biimidazole molecules and four benzoic acid molecules, giving the reported 2:1 ratio of benzoic acid to biimidazole. The biimidazole molecule is located on an inversion center Strong N—H O and O—H N hydrogen bonds link the benzoic acid molecules with the neutral biimidazole molecules, which lie in planar sheets. The parallel sheets are related by a twofold rotation axis and an inversion centre, respectively, forming an interwoven three-dimensional network via weak C O intermolecular interactions between neighboring molecules
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