Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 7 (July 2003)

Acta Cryst. (2003). C59, m271-m274 [doi:10.1107/S010827010301031X]

Adducts of hexamethylenetetramine with ferrocenecarboxylic acid and ferrocene-1,1'-dicarboxylic acid: multiple disorder in space groups Fmm2 and Cmcm

C. M. Zakaria, G. Ferguson, A. J. Lough and C. Glidewell

Abstract: Hexamethylenetetramine, C₆H₁₂N₄, and ferrocenecarboxylic acid, C₁₁H₁₀FeO₂, form a 1:2 adduct, (I), which is a salt, viz. hexamethylenetetraminium(2+) bis(ferrocenecarboxylate), (C₆H₁₄N₄)[Fe(C₅H₅)(C₆H₄O₂)]₂. The dication in (I) is disordered with two orientations at a site of mm2 symmetry in space group Fmm2, while the anion lies across a mirror plane with its unsubstituted cyclopentadienyl ring disordered over two sets of sites. With ferrocene-1,1'-dicarboxylic acid, C₁₂H₁₀FeO₄, hexamethylenetetramine forms a 1:1 adduct, (II), in which both components are neutral, viz. hexamethylenetetramine-ferrocene-1,1'-dicarboxylic acid (1/1), [Fe(C₆H₅O₂)₂]·C₆H₁₂N₄. The amine component in (II) is disordered with two orientations at a site of mm2 symmetry in space group Cmcm, while the acid component is disordered with two orientations at a site of 2/m symmetry. The components in (I) are linked into a finite three-ion aggregate by a single N-HO hydrogen bond, while the components of (II) are linked into continuous chains by a single O-HN hydrogen bond.

Formula: (C₆H₁₄N₄)[Fe(C₅H₅)(C₆H₄O₂)]₂ and [Fe(C₆H₅O₂)₂]·C₆H₁₂N₄

Online 11 June 2003


	Structure factor file (CIF format) (65.6 kbytes) Contains datablock I

	Structure factor file (CIF format) (40.9 kbytes) Contains datablock II

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