Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 5 (May 2009)

organic compounds

Acta Cryst. (2009). C65, o202-o206 [ doi:10.1107/S0108270109011780 ]

Supramolecular hydrogen-bonded networks in adeninediium hemioxalate chloride and adeninium semioxalate hemi(oxalic acid) monohydrate

B. Sridhar, K. Ravikumar and B. Varghese

Abstract: In 9H-adenine-1,7-diium hemioxalate chloride, C₅H₇N₅²⁺·0.5C₂O₄^2-·Cl^-, (I), adenine is doubly protonated, while in 7H-adenin-1-ium semioxalate hemi(oxalic acid) monohydrate, C₅H₆N₅⁺·C₂HO₄^-·0.5C₂H₂O₄·H₂O, (II), adenine and one oxalate anion are both monoprotonated. In (I), the adeninium cation forms R₂²(8) and R₁²(5) hydrogen-bonding motifs with the centrosymmetric oxalate anion, while in (II), the cation forms R₂¹(6) and R₁²(5) motifs with the centrosymmetric oxalic acid molecule and R₁²(5)and R₂²(9) motifs with the monoprotonated oxalate anion. Linear hydrogen-bonded trimers are observed in (I) and (II). In both structures, the hydrogen bonds lead to the formation of two-dimensional supramolecular hydrogen-bonded sheets in the crystal packing. The significance of this study lies in the analysis of the interactions occurring via hydrogen bonds and the diversity seen in the supramolecular hydrogen-bonded networks as a result of such interactions.

Formula: C₅H₇N₅²⁺·0.5C₂O₄^2-·Cl^- and C₅H₆N₅⁺·C₂HO₄^-·0.5C₂H₂O₄·H₂O


	Structure factor file (CIF format) (71.8 kbytes) [ doi:10.1107/S0108270109011780/ln3126Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (97.5 kbytes) [ doi:10.1107/S0108270109011780/ln3126IIsup3.hkl ] Contains datablock II

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search