Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 6 (June 2006)

metal-organic compounds

fg3012 scheme

Acta Cryst. (2006). C62, m234-m237 [ doi:10.1107/S0108270106014429 ]

The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes

U. Flörke, S. Herres-Pawlis, A. Heuwing, A. Neuba, O. Seewald and G. Henkel

Abstract: Subject to packing with different anions, the title cation undergoes various conformational changes with significantly different N-C-C-C torsion angles, as well as different angles between the NCN₂ guanidine planes. The 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) salts reported here, viz. the dibromide, C₁₃H₃₂N₆²⁺·2Br^-, the tetraphenylborate chloride, C₁₃H₃₂N₆²⁺·C₂₄H₂₀B^-·Cl^-, the tetrachloromercurate, (C₁₃H₃₂N₆)[HgCl₄], and the bis(trifluoromethanesulfonate), C₁₃H₃₂N₆²⁺·2CF₃SO₃^-, are dominated by strong intermolecular N-HX hydrogen bonds, which form different packing patterns.

Formula: Four C₁₃H₃₂N₆²⁺ salts


	Structure factor file (CIF format) (452.0 kbytes) [ doi:10.1107/S0108270106014429/fg3012Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (381.6 kbytes) [ doi:10.1107/S0108270106014429/fg3012IIsup3.hkl ] Contains datablock h988

	Structure factor file (CIF format) (247.3 kbytes) [ doi:10.1107/S0108270106014429/fg3012IIIsup4.hkl ] Contains datablock s990

	Structure factor file (CIF format) (252.9 kbytes) [ doi:10.1107/S0108270106014429/fg3012IVsup5.hkl ] Contains datablock h957

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