Information card for entry 1100680

Structure parameters

• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• SMILES: O/N=C(/C(=O)c1ccccc1)Nc1ccc(cc1)C
• Title of publication: Structure of 1-(4-Methylphenylamino)-2-phenyl-1,2-ethandione-1-oxime
• Authors of publication: Sari, Ugur; Bati, Hümeyra; Güven, Kutalms; Tas, Murat; Aksoy, Ilhan
• Journal of publication: Analytical Sciences: X-ray Structure Analysis Online
• Year of publication: 2003
• Journal volume: 19
• Pages of publication: x61 - x62
• a: 23.516 ± 0.003 Å
• b: 5.364 ± 0.003 Å
• c: 21.872 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2758.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No