Information card for entry 2014813

Structure parameters

• Chemical name: N^1^-(4-Bromophenyl)-N^2^-hydroxy-2-oxo-2-phenylacetamidine
• Formula: C14 H11 Br N2 O2
• Calculated formula: C14 H11 Br N2 O2
• SMILES: O/N=C(/C(=O)c1ccccc1)Nc1ccc(cc1)Br
• Title of publication: <i>N</i>^1^-(4-Bromophenyl)-<i>N</i>^2^-hydroxy-2-oxo-2-phenylacetamidine
• Authors of publication: Serkan Soylu; Murat Taş; Hümeyra Batı; Nezihe Çalışkan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o343 - o344
• a: 21.593 ± 0.005 Å
• b: 13.328 ± 0.005 Å
• c: 9.352 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.008 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2611.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No