Information card for entry 8104807

Structure parameters

• Common name: 3-chloropropylammonium chloride
• Chemical name: 3-chloropropylammonium chloride
• Formula: C3 H9 Cl2 N
• Calculated formula: C3 H9 Cl2 N
• Title of publication: The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N
• Authors of publication: Muller, Kina; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 285 - 286
• a: 8.7694 ± 0.0005 Å
• b: 9.6963 ± 0.0006 Å
• c: 14.8577 ± 0.0009 Å
• α: 90°
• β: 98.266 ± 0.003°
• γ: 90°
• Cell volume: 1250.24 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No