Information card for entry 2227341

Structure parameters

• Chemical name: (1<i>E</i>)-6-Methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one oxime
• Formula: C11 H13 N O2
• Calculated formula: C11 H13 N O2
• SMILES: C1(=N\O)\CCCc2c1ccc(c2)OC
• Title of publication: (1<i>E</i>)-6-Methoxy-3,4-dihydronaphthalen-1(2<i>H</i>)-one oxime
• Authors of publication: Jin, Da-Cheng; Piao, Feng-Yu; Han, Rong-Bi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2504
• a: 8.185 ± 0.006 Å
• b: 15.878 ± 0.01 Å
• c: 8.053 ± 0.005 Å
• α: 90°
• β: 109.02 ± 0.03°
• γ: 90°
• Cell volume: 989.4 ± 1.2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes