Information card for entry 2022987

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: 8.3039 ± 0.0006 Å
• b: 21.6993 ± 0.0015 Å
• c: 8.8495 ± 0.0006 Å
• α: 90°
• β: 90.077 ± 0.002°
• γ: 90°
• Cell volume: 1594.58 ± 0.19 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0428
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes