Information card for entry 8104900

Structure parameters

• Common name: (4-aminophenylsulfanyl)acetic acid
• Chemical name: (4-aminothiophenoxy)acetic acid
• Formula: C8 H9 N O2 S
• Calculated formula: C8 H9 N O2 S
• Title of publication: Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C8H9NO2S
• Authors of publication: Maritz, Marius; 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: 125 - 127
• a: 6.6909 ± 0.0005 Å
• b: 7.9787 ± 0.0006 Å
• c: 8.5551 ± 0.0006 Å
• α: 80.065 ± 0.003°
• β: 68.175 ± 0.003°
• γ: 77.676 ± 0.004°
• Cell volume: 412.01 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No