Information card for entry 8104944

Structure parameters

• Common name: 3-chloropropionic acid
• Chemical name: 3-chloropropionic acid
• Formula: C3 H5 Cl O2
• Calculated formula: C3 H5 Cl O2
• Title of publication: The crystal structure of 3-chloropropionic acid, C3H5ClO2
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 273 - 275
• a: 5.2011 ± 0.0004 Å
• b: 7.4362 ± 0.0004 Å
• c: 24.1175 ± 0.0015 Å
• α: 90°
• β: 94.594 ± 0.003°
• γ: 90°
• Cell volume: 929.78 ± 0.1 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: 0.0398
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No