Information card for entry 2311469

Structure parameters

• Common name: Benzyl(benzylidene)azane oxide peroxosolvate
• Chemical name: (<i>Z</i>)-<i>N</i>-Benzylidene-1-phenylmethanamine oxide hydrogen peroxide monosolvate
• Formula: C14 H15 N O3
• Calculated formula: C14 H15 N O3
• SMILES: OO.O=N(/Cc1ccccc1)=C\c1ccccc1
• Title of publication: Crystal structure of (<i>Z</i>)-<i>N</i>-benzyl-idene-1-phenyl-methanamine oxide hydrogen peroxide monosolvate.
• Authors of publication: Churakov, Andrei V.; Prikhodchenko, Petr V.; Medvedev, Alexander G.; Mikhaylov, Alexey A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1666 - 1669
• a: 21.802 ± 0.015 Å
• b: 4.597 ± 0.003 Å
• c: 12.742 ± 0.009 Å
• α: 90°
• β: 97.598 ± 0.011°
• γ: 90°
• Cell volume: 1265.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No