Information card for entry 1548451

Structure parameters

• Chemical name: (E)-1-(2-aminophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: O=C(c1ccccc1N)/C=C/c1ccc(O)cc1
• Title of publication: Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones
• Authors of publication: Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel
• Journal of publication: Monatshefte Fur Chemie
• Year of publication: 2016
• Journal volume: 147
• Pages of publication: 1747 - 1757
• a: 18.877 ± 0.004 Å
• b: 16.644 ± 0.003 Å
• c: 19.387 ± 0.004 Å
• α: 90°
• β: 91.781 ± 0.01°
• γ: 90°
• Cell volume: 6088 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.1182
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No