Acta Cryst. (2013). E69, o1216-o1217 [ doi:10.1107/S1600536813018230 ]
Abstract: The title compound, 6C5H9N2+·3SiF62-·CH3OH, (I), was prepared by recrystallization of the crude salt from methanol along with solvent-free 2C5H9N2+·SiF62- (II). Crystals of these solvatomorphs can be separated manually. The solvate (I) crystallizes in a rare hexagonal space group P6/mcc. Its asymmetric unit comprises one half of an imidazolium cation bisected by the crystallographic m-plane, one-sixth and one-twelfth of two crystallographically independent SiF62- dianions (Si atoms are located on the 3.2 and 6/m inversion centres), and one-twelfth of a methanol molecule (C atoms are situated on the 622 inversion centres, other atoms are disordered between general positions). In (I), all F atoms of 3.2-located SiF62- dianions participate in the formation of symmetry-equivalent contacts to the H atoms of imidazolium fragments, thus forming rod-type ensembles positioned on the -6 axes. These `pillar' rods are, in turn, FH interlinked through SiF62- dianions disordered around the 6/m centres. The twelvefold disordered methanol molecules are appended to this array by O-HF hydrogen bonds to the 6/m located SiF62- dianions. In terms of graph-set notation, the first and second level networks in (I) are N1 = C22(7)[3R44(14)]D22(4) and N2 = D22(5) (C-HO hydrogen bonds are not considered). After locating all symmetrically independent atoms in the cation and anions, there remained a strong (> 3 e Å-3) residual electron density peak located at the 622 inversion centre. Treatment of this pre-refined model with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155] revealed two voids per unit cell, indicative of the presence of the solvent methanol molecule disordered about the 622 inversion centre.
Hyper-Text Markup Language (HTML) file
Chemdraw file (3.7 kbytes)
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.
Copyright © International Union of Crystallography