Information card for entry 8102695

Structure parameters

• Formula: C10 H24 Cl N5
• Calculated formula: C10 H24 Cl N5
• SMILES: C(=[NH+]C1N(CCN1C)C)(N(C)C)N(C)C.[Cl-]
• Title of publication: Crystal structure of 1,1,3,3-tetramethyl-2-(1,3-dimethylimidazolidin-2-yl)guanidinium chloride, (C10H24N5)Cl
• Authors of publication: Chun-Yan Liu; Fu-An Sun; Ming-Yang He
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 327
• a: 12.0491 ± 0.0016 Å
• b: 6.7268 ± 0.0009 Å
• c: 16.947 ± 0.002 Å
• α: 90°
• β: 97.634 ± 0.003°
• γ: 90°
• Cell volume: 1361.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No