Information card for entry 1567651

Structure parameters

• Chemical name: Isopropyl 4-aminobenzoate
• Formula: C10 H13 N O2
• Calculated formula: C10 H13 N O2
• Title of publication: Isopropyl 4-aminobenzoate
• Authors of publication: Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Divakara, Thayamma R.; Foro, Sabine; Butcher, Ray J.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 9
• Pages of publication: x220904
• a: 8.405 ± 0.001 Å
• b: 11.029 ± 0.002 Å
• c: 11.52 ± 0.003 Å
• α: 89.1 ± 0.02°
• β: 77.06 ± 0.02°
• γ: 87.17 ± 0.02°
• Cell volume: 1039.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2383
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes