Information card for entry 2223061

Structure parameters

• Chemical name: (<i>E</i>)-3-Dimethylamino-1-(2-pyridyl)prop-2-en-1-one
• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: CN(C)/C=C/C(=O)c1ccccn1
• Title of publication: (<i>E</i>)-3-Dimethylamino-1-(2-pyridyl)prop-2-en-1-one
• Authors of publication: Ni, Lei; Zhao, Ji-Li; Wei, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2103
• a: 5.667 ± 0.0011 Å
• b: 23.117 ± 0.005 Å
• c: 7.688 ± 0.0015 Å
• α: 90°
• β: 108.17 ± 0.03°
• γ: 90°
• Cell volume: 956.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes