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

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

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 her...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2006-06, Vol.62 (6), p.m234-m237
Hauptverfasser: Flörke, Ulrich, Herres-Pawlis, Sonja, Heuwing, Andreas, Neuba, Adam, Seewald, Oliver, Henkel, Gerald
Format: Artikel
Sprache:eng
Schlagworte:
Anions
Condensed matter: structure, mechanical and thermal properties
Crystal structure
Crystalline state (including molecular motions in solids)
Exact sciences and technology
Hydrocarbons
Hydrogen bonds
Organic chemistry
Physics
Propane
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
Theory of crystal structure, crystal symmetry
calculations and modeling
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Zusammenfassung: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—H⋯X hydrogen bonds, which form different packing patterns.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270106014429