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

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 62; no. 6; pp. m234 - m237
• Main Authors: Flörke, Ulrich, Herres-Pawlis, Sonja, Heuwing, Andreas, Neuba, Adam, Seewald, Oliver, Henkel, Gerald
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England Blackwell Publishing Ltd 01.06.2006; Blackwell; Wiley Subscription Services, Inc
• Subjects: 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; Unit cell; Hydrogen bonds; Conformational changes; Crystal symmetry; Crystal structure
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S0108270106014429

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.