Information card for entry 7034178

Structure parameters

• Formula: C12 H16 N2 O
• Calculated formula: C12 H16 N2 O
• SMILES: O=C(C)/C=C(NN(C)c1ccccc1)/C
• Title of publication: Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols.
• Authors of publication: Gaona, Miguel Ángel; Montilla, Francisco; Álvarez, Eleuterio; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6516 - 6525
• a: 5.6189 ± 0.001 Å
• b: 10.2238 ± 0.0017 Å
• c: 10.235 ± 0.0016 Å
• α: 84.128 ± 0.004°
• β: 77.868 ± 0.004°
• γ: 86.846 ± 0.005°
• Cell volume: 571.48 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No