Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 11 (November 2005)

organic compounds

sk1869 scheme

Acta Cryst. (2005). C61, o668-o670 [doi:10.1107/S0108270105031744]

Two phosphate-imidazole complexes with and without a hydrogen-bonded guest molecule

K. V. P. Pavan Kumar and K. C. Kumara Swamy

Abstract: The molecular structures of the complexes imidazolium 6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenyl phosphate, C₃H₅N₂⁺·C₂₂H₂₈O₄PS^-, (I), and imidazolium 6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenyl phosphate diisopropyl hydrazodicarboxylate hemisolvate, C₃H₅N₂⁺·C₂₂H₂₈O₄PS^-·0.5C₈H₁₆N₂O₄, (II), have been determined. While (I) forms the expected hydrogen-bonded chain utilizing the two imidazole N-bound H atoms, in (II), the substituted hydrazine solvent molecule inserts itself between the chains. Compound (I) exhibits a strong N-HO hydrogen bond, with an NO distance of 2.603 (2) Å. The hydrazine solvent molecule in (II) lies about a twofold axis and the N-bound H atoms are involved in bifurcated hydrogen bonds with phosphate O atoms. A C-bound H atom of the imidazolium cation is involved in a C-HO interaction with a carbonyl O atom of the hydrazine solvent molecule.

Formula: C₃H₅N₂⁺·C₂₂H₂₈O₄PS^-(·0.5C₈H₁₆N₂O₄)


	Structure factor file (CIF format) (290.8 kbytes) Contains datablock I

	Structure factor file (CIF format) (363.3 kbytes) Contains datablock II

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