Information card for entry 2226438

Structure parameters

• Common name: 4-hydroxy-4'-dimethylaminochalcone
• Chemical name: (3<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: Oc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)N(C)C
• Title of publication: (3<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
• Authors of publication: Hasan, Aurangzeb; Akhtar, Nadeem; Lajis, Nordin Hj; Rusli, Aqilah Fasihah Binti; Lo, Kong Mun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1808
• a: 6.307 ± 0.0001 Å
• b: 29.5285 ± 0.0006 Å
• c: 7.388 ± 0.0002 Å
• α: 90°
• β: 95.056 ± 0.001°
• γ: 90°
• Cell volume: 1370.56 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes