Information card for entry 2014644

Structure parameters

• Chemical name: 4-Amino-N-isopropylbenzamidinium chloride ethanol solvate
• Formula: C12 H22 Cl N3 O
• Calculated formula: C12 H22 Cl N3 O
• Title of publication: 4-Amino-<i>N</i>-isopropylbenzamidinium chloride ethanol solvate
• Authors of publication: Jarak, Ivana; Karminski - Zamola, Grace; Pavlović, Gordana; Popović, Zora
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o98 - o100
• a: 8.7458 ± 0.0015 Å
• b: 9.2177 ± 0.0014 Å
• c: 9.7938 ± 0.0015 Å
• α: 96.339 ± 0.012°
• β: 105.022 ± 0.014°
• γ: 100.649 ± 0.013°
• Cell volume: 738.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes