Information card for entry 2022986

Structure parameters

• Chemical name: 4-Methoxyanilinium chloride
• Formula: C7 H10 Cl N O
• Calculated formula: C7 H10 Cl N O
• Title of publication: Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.
• Authors of publication: Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 58 - 61
• a: 8.8689 ± 0.0004 Å
• b: 8.4361 ± 0.0003 Å
• c: 21.7319 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1625.96 ± 0.12 ų
• Cell temperature: 250 ± 0.5 K
• Ambient diffraction temperature: 250 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes