Information card for entry 2207485

Structure parameters

• Chemical name: t(3),t(5)-Dimethyl N-nitroso-r(2),c(6)-bis(o-chlorophenyl)piperidine-4-one oxime.
• Formula: C19 H19 Cl2 N3 O2
• Calculated formula: C19 H19 Cl2 N3 O2
• SMILES: Clc1c([C@H]2N(N=O)[C@H]([C@@H](C(=NO)[C@@H]2C)C)c2ccccc2Cl)cccc1
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(2-chlorophenyl)-<i>t</i>-3,<i>t</i>-5-dimethyl-1-nitrosopiperidin-4-one oxime
• Authors of publication: Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K.; Muthukumaran, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o3987 - o3989
• a: 7.9168 ± 0.0007 Å
• b: 8.5941 ± 0.0008 Å
• c: 14.1572 ± 0.0013 Å
• α: 90.225 ± 0.002°
• β: 101.459 ± 0.002°
• γ: 94.81 ± 0.002°
• Cell volume: 940.49 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes