Information card for entry 2013749

Structure parameters

• Chemical name: N^1^-(2,6-Dimethylphenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine
• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: c1cccc(c1)C(=O)C(=NO)Nc1c(C)cccc1C
• Title of publication: <i>N</i>^1^-(2,6-Dimethylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine
• Authors of publication: Soylu, Serkan; Tas̨, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o115 - o117
• a: 8.1002 ± 0.001 Å
• b: 7.8837 ± 0.001 Å
• c: 23.108 ± 0.003 Å
• α: 90°
• β: 90.828 ± 0.01°
• γ: 90°
• Cell volume: 1475.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No