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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Tian, Chong Nie, Wanli Borzov, Maxim V. |
| Description | Author Affiliation: Tian C ( College of Chemistry, Leshan Normal University, Binhe Rd 778, Leshan 614000, Sichuan Province, People's Republic of China.) |
| Abstract | The title compound, $6C_{5}H_{9}N_{2}$ $^{+}·3SiF_{6}$ $^{2−}·CH_{3}OH,$ (I), was prepared by recrystallization of the crude salt from methanol along with solvent-free $2C_{5}H_{9}N_{2}$ $^{+}·SiF_{6}$ $^{2−}$ (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 $SiF_{6}$ $^{2–}$ 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 $SiF_{6}$ $^{2–}$ 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, F⋯H interlinked through $SiF_{6}$ $^{2–}$ dianions disordered around the 6/m centres. The twelvefold disordered methanol molecules are appended to this array by O—H⋯F hydrogen bonds to the 6/m located $SiF_{6}$ $^{2–}$ dianions. In terms of graph-set notation, the first and second level networks in (I) are N $_{1}$ = C $_{2}$ $^{2}(7)[3R$ $_{4}$ $^{4}(14)]D$ $_{2}$ $^{2}(4)$ and N $_{2}$ = D $_{2}$ $^{2}(5)$ (C—H⋯O 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. |
| ISSN | 20569890 |
| e-ISSN | 16005368 |
| Journal | Acta Crystallographica Section E Structure Reports Online |
| Issue Number | Pt 8 |
| Volume Number | 69 |
| Language | English |
| Publisher | IUCr/Wiley |
| Publisher Date | 2013-01-01 |
| Publisher Place | United States |
| Access Restriction | Open |
| Subject Keyword | Crystallography |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Condensed Matter Physics Materials Science |
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