Information card for entry 2215037

Structure parameters

• Chemical name: 1-(3-Methoxyphenyl)-2-phenylethanone oxime
• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: N(O)=C(c1cccc(OC)c1)Cc1ccccc1
• Title of publication: 1-(3-Methoxyphenyl)-2-phenylethanone oxime
• Authors of publication: H. N. Pati; B. K. Mishra; S. G. Hiriyanna; H. S. Yathirajan; R. S. Rathore
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3700 - o3700
• a: 9.7198 ± 0.0009 Å
• b: 12.139 ± 0.001 Å
• c: 21.499 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2536.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes