Information card for entry 2214436

Structure parameters

• Chemical name: 1-(3,4-Dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• SMILES: O=C(/C=C/c1ccc(N(C)C)cc1)c1cc(OC)c(OC)cc1
• Title of publication: 1-(3,4-Dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
• Authors of publication: P. S. Patil; Suchada Chantrapromma; Hoong-Kun Fun; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3253 - o3254
• a: 10.8945 ± 0.0002 Å
• b: 9.7106 ± 0.0002 Å
• c: 32.6158 ± 0.0005 Å
• α: 90°
• β: 109.412 ± 0.001°
• γ: 90°
• Cell volume: 3254.34 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes