Information card for entry 2224925

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one
• Formula: C19 H20 Cl N O
• Calculated formula: C19 H20 Cl N O
• SMILES: CCN(c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)Cl)CC
• Title of publication: (<i>E</i>)-1-(4-Chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one
• Authors of publication: Kobkeatthawin, Thawanrat; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o254 - o255
• a: 17.2073 ± 0.0002 Å
• b: 11.9467 ± 0.0001 Å
• c: 15.7996 ± 0.0002 Å
• α: 90°
• β: 97.268 ± 0.001°
• γ: 90°
• Cell volume: 3221.83 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes