Information card for entry 2226658

Structure parameters

• Chemical name: 2-Hydroxy-<i>N</i>,</i>N</i>'-diisopropylpropane-1,3-diaminium dichloride
• Formula: C9 H24 Cl2 N2 O
• Calculated formula: C9 H24 Cl2 N2 O
• SMILES: [Cl-].[Cl-].[NH2+](CC(O)C[NH2+]C(C)C)C(C)C
• Title of publication: 2-Hydroxy-<i>N</i>,<i>N</i>'-diisopropylpropane-1,3-diaminium dichloride
• Authors of publication: Hou, Xuehui; Zhao, Likui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1766
• a: 6.24 ± 0.001 Å
• b: 10.0081 ± 0.0014 Å
• c: 11.3519 ± 0.0016 Å
• α: 86.198 ± 0.001°
• β: 88.052 ± 0.002°
• γ: 83.308 ± 0.001°
• Cell volume: 702.31 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes