Information card for entry 2227000

Structure parameters

• Chemical name: Ethyl 3-amino-4-[(2-hydroxyethyl)amino]benzoate
• Formula: C11 H16 N2 O3
• Calculated formula: C11 H16 N2 O3
• SMILES: OCCNc1ccc(cc1N)C(=O)OCC
• Title of publication: Ethyl 3-amino-4-[(2-hydroxyethyl)amino]benzoate
• Authors of publication: Arumugam, Natarajan; Abdul Rahim, Aisyah Saad; Abd. Hamid, Shafida; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2141
• a: 23.23 ± 0.0005 Å
• b: 14.5914 ± 0.0004 Å
• c: 7.5815 ± 0.0001 Å
• α: 90°
• β: 108.931 ± 0.001°
• γ: 90°
• Cell volume: 2430.81 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes