Information card for entry 2223062

Structure parameters

• Chemical name: (<i>E</i>)-3-Dimethylamino-1-(4-pyridyl)prop-2-en-1-one
• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: c1(ccncc1)C(=O)/C=C/N(C)C
• Title of publication: (<i>E</i>)-3-Dimethylamino-1-(4-pyridyl)prop-2-en-1-one
• Authors of publication: Ni, Lei; Zhu, Guo-Wei; Wei, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2104
• a: 5.63 ± 0.0011 Å
• b: 22.85 ± 0.005 Å
• c: 7.84 ± 0.0016 Å
• α: 90°
• β: 107.57 ± 0.03°
• γ: 90°
• Cell volume: 961.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes