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1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmethyl)biphenyl-4-yl]methyl}-1H-1,2,4-triazol-2-ium bis(3-carboxy-5-iodobenzoate)–5-iodobenzene-3,5-dicarboxylic acid–water (1/2/2)
The neutral carboxylic acid molecule and the carboxylate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (−)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C—C bond linking the two benzene r...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344494/ https://www.ncbi.nlm.nih.gov/pubmed/22590256 http://dx.doi.org/10.1107/S1600536812014584 |
Sumario: | The neutral carboxylic acid molecule and the carboxylate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (−)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C—C bond linking the two benzene rings lies on a center of inversion, and the triazole ring is approximately perpendicular to the adjacent benzene ring [dihedral angle = 83.2 (3)°]. In the crystal, the cations, anions, carboxylic acid and lattice water molecules are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating a ribbon running along [1-10]. The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio. |
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