Information card for entry 2207504

Structure parameters

• Chemical name: t-3-Methyl-1-nitroso-r-2,c-6-diphenylpiperidin-4-one oxime monohydrate
• Formula: C18 H21 N3 O3
• Calculated formula: C18 H21 N3 O3
• SMILES: O=NN1[C@@H](CC(=NO)[C@H]([C@@H]1c1ccccc1)C)c1ccccc1.O
• Title of publication: <i>t</i>-3-Methyl-1-nitroso-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one oxime monohydrate
• Authors of publication: Hema, R.; Parthasarathi, V.; Ravikumar, K.; Pandiarajan, K.; Muthukumaran, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4348 - o4350
• a: 7.9578 ± 0.0013 Å
• b: 7.0567 ± 0.0012 Å
• c: 15.642 ± 0.003 Å
• α: 90°
• β: 100.483 ± 0.003°
• γ: 90°
• Cell volume: 863.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes