Information card for entry 2215832

Structure parameters

• Chemical name: [(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate
• Formula: C18 H18 N4 O3
• Calculated formula: C18 H18 N4 O3
• SMILES: C1COCCO1.O/N=C\NC=C(/c1cccc2c1cccc2)c1onc(n1)C
• Title of publication: [(<i>Z</i>)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate
• Authors of publication: Okuda, Kensuke; Watanabe, Hiromi; Hirota, Takashi; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4261 - o4262
• a: 25.009 ± 0.0008 Å
• b: 21.194 ± 0.0005 Å
• c: 14.5843 ± 0.0004 Å
• α: 90°
• β: 119.81 ± 0.0009°
• γ: 90°
• Cell volume: 6707.4 ± 0.3 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes