Information card for entry 8104823

Structure parameters

• Common name: methacholine chloride
• Chemical name: 2-acetyl-1-(trimethylamino)propane chloride
• Formula: C8 H18 Cl N O2
• Calculated formula: C8 H18 Cl N O2
• Title of publication: The crystal structure of methacholine chloride, C8H18ClNO2
• 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: 335 - 337
• a: 6.811 ± 0.0005 Å
• b: 8.8779 ± 0.0007 Å
• c: 17.2774 ± 0.0016 Å
• α: 90°
• β: 97.582 ± 0.004°
• γ: 90°
• Cell volume: 1035.59 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No