Information card for entry 2220395

Structure parameters

• Chemical name: 2-[Bis(2-aminoethyl)amino]ethanaminium chloride dichloromethane solvate
• Formula: C7 H21 Cl3 N4
• Calculated formula: C7 H21 Cl3 N4
• SMILES: N(CCN)(CC[NH3+])CCN.ClCCl.[Cl-]
• Title of publication: 2-[Bis(2-aminoethyl)amino]ethanaminium chloride dichloromethane solvate
• Authors of publication: Reichvilser, Moritz M.; Ossiander, Tanja; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2500
• a: 12.1512 ± 0.0004 Å
• b: 8.5686 ± 0.0002 Å
• c: 13.5497 ± 0.0003 Å
• α: 90°
• β: 104.273 ± 0.002°
• γ: 90°
• Cell volume: 1367.23 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes