Information card for entry 2202222

Structure parameters

• Chemical name: N-Hydroxy-2-oxo-2,N'-diphenylacetamidine
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: ON=C(C(=O)c1ccccc1)Nc1ccccc1
• Title of publication: <i>N</i>-Hydroxy-2-oxo-2,<i>N</i>'-diphenylacetamidine
• Authors of publication: Büyükgüngör, Orhan; Hökelek, Tuncer; Taş, Murat; Batı, Hümeyra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o883 - o885
• a: 10.0106 ± 0.0009 Å
• b: 10.228 ± 0.0006 Å
• c: 12.1627 ± 0.0007 Å
• α: 90°
• β: 95.763 ± 0.006°
• γ: 90°
• Cell volume: 1239.03 ± 0.15 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes