Information card for entry 2210999

Structure parameters

• Common name: 3-bromo-2-Ethoxy-2-phenyl-1-cyclohexanone oxime
• Chemical name: 3-Bromo-2-ethoxy-2-phenylcyclohexan-1-one oxime
• Formula: C14 H18 Br N O2
• Calculated formula: C14 H18 Br N O2
• SMILES: C\1(=N\O)[C@@](OCC)([C@H](Br)CCC1)c1ccccc1.C\1(=N\O)[C@](OCC)([C@@H](Br)CCC1)c1ccccc1
• Title of publication: 3-Bromo-2-ethoxy-2-phenylcyclohexan-1-one oxime
• Authors of publication: M. Periasamy; L. Anjana; S. Athimoolam; A. Ponnuswamy; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5116 - o5118
• a: 25.65 ± 0.011 Å
• b: 7.541 ± 0.006 Å
• c: 15.797 ± 0.009 Å
• α: 90°
• β: 105.86 ± 0.09°
• γ: 90°
• Cell volume: 2939 ± 3 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: 0.0995
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes