Information card for entry 2207680

Structure parameters

• Chemical name: 3-[(2-Hydroxyphenyl]amino]-1,3-diphenylprop-2-en-1-one
• Formula: C21 H17 N O2
• Calculated formula: C21 H17 N O2
• SMILES: O=C(c1ccccc1)C=C(Nc1ccccc1O)c1ccccc1
• Title of publication: 3-[(2-Hydroxyphenyl)amino]-1,3-diphenylprop-2-en-1-one
• Authors of publication: Yao-Cheng Shi; Su-Hua Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4362 - o4364
• a: 9.049 ± 0.0018 Å
• b: 10.242 ± 0.002 Å
• c: 11.013 ± 0.002 Å
• α: 69.26 ± 0.03°
• β: 81.68 ± 0.03°
• γ: 64.33 ± 0.03°
• Cell volume: 860.3 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.147
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1536
• 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