Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 2 (February 2009)

organic compounds

Acta Cryst. (2009). C65, o51-o53 [ doi:10.1107/S010827010804300X ]

Three-dimensional networks in the 1:2 organic salts 2,2'-biimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) and 2,2'-bibenzimidazolium bis(3-carboxy-4-hydroxybenzenesulfonate) trihydrate

C.-S. Zhou, L.-L. Ding, H. Zhang, M.-N. Cao and X.-G. Meng

Abstract: The two title compounds of 2,2'-biimidazole (Bim) with 5-sulfosalicylic acid (5-H₂SSA) and 2,2'-bibenzimidazole (Bbim) with 5-H₂SSA are 1:2 organic salts, viz. C₆H₈N₄²⁺·2C₇H₅O₆S^-, (I), and C₁₄H₁₂N₄²⁺·2C₇H₅O₆S^-·3H₂O, (II). The cation of compound (I) lies on a centre of inversion, whereas that of (II) lies on a twofold axis. Whilst compound (I) is anhydrous, three water molecules are incorporated into the crystal structure of (II). The substitution of imidazole H atoms by other chemical groups may favour the incorporation of water molecules into the crystal structure. In both compounds, the component cations and anions adopt a homogeneous arrangement, forming alternating cation and anion layers which run parallel to the (001) plane in (I) and to the (100) plane in (II). By a combination of N-HO, O-HO and C-HO hydrogen bonds, the ions in both compounds are linked into three-dimensional networks. In addition, [pi] - [pi] interactions are observed between symmetry-related benzene rings of Bbim²⁺ cations in (II).

Formula: C₆H₈N₄²⁺·2C₇H₅O₆S^- and C₁₄H₁₂N₄²⁺·2C₇H₅O₆S^-·3H₂O


	Structure factor file (CIF format) (120.4 kbytes) [ doi:10.1107/S010827010804300X/tr3049Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (147.7 kbytes) [ doi:10.1107/S010827010804300X/tr3049IIsup3.hkl ] Contains datablock II

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