Information card for entry 8106493

Structure parameters

• Chemical name: (<i>Z</i>)-3-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one
• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• SMILES: C(=C/C(c1ccc(cc1)OC)=O)(\c1ccccn1)O
• Title of publication: Crystal structure of (Z)-3-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one, C15H13NO3
• Authors of publication: Radi, Smaail; Tighadouini, Said; Eddike, Driss; Mabkhot, Yahia N.; Tillard, Monique
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 235 - 236
• a: 3.923 ± 0.0003 Å
• b: 26.578 ± 0.002 Å
• c: 11.7147 ± 0.0012 Å
• α: 90°
• β: 94.028 ± 0.008°
• γ: 90°
• Cell volume: 1218.42 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No