Information card for entry 7224036

Structure parameters

• Chemical name: α-(3-methyl-4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene)benzeneacetonitrile
• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• Title of publication: Solvent-free mechanochemical synthesis of arylcyanomethylenequinone oximes from phenylacetonitriles and 4-unsubstituted nitroaromatic compounds using KF/nano-γ-Al2O3 as catalyst
• Authors of publication: hong, zhi; Li, Jianjun; Chen, Guang; Jiang, Huajiang; Yang, Xiao-Feng; Pan, Heng; Su, Weike
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.958 ± 0.005 Å
• b: 3.937 ± 0.003 Å
• c: 45.96 ± 0.03 Å
• α: 90°
• β: 91.278 ± 0.009°
• γ: 90°
• Cell volume: 1258.7 ± 1.6 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: 0.1307
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No