Information card for entry 2224247

Structure parameters

• Chemical name: (1<i>E</i>)-1-[4-(Dimethylamino)phenyl]pent-1-en-3-one
• Formula: C13 H17 N O
• Calculated formula: C13 H17 N O
• SMILES: N(c1ccc(cc1)/C=C/C(=O)CC)(C)C
• Title of publication: (1<i>E</i>)-1-[4-(Dimethylamino)phenyl]pent-1-en-3-one
• Authors of publication: Asghar, Muhammad Nadeem; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Rehman, Jeveria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3063
• a: 12.6079 ± 0.0014 Å
• b: 15.1331 ± 0.0017 Å
• c: 6.2182 ± 0.0006 Å
• α: 90°
• β: 100.036 ± 0.005°
• γ: 90°
• Cell volume: 1168.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1814
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes