Information card for entry 2242534

Structure parameters

• Chemical name: (<i>E</i>)-2-(<i>tert</i>-Butylamino)-4-(<i>tert</i>-butylimino)naphthalen-1(4<i>H</i>)-one
• Formula: C18 H24 N2 O
• Calculated formula: C18 H24 N2 O
• SMILES: O=C1c2ccccc2/C(C=C1NC(C)(C)C)=N/C(C)(C)C
• Title of publication: Crystal structure of (<i>E</i>)-2-(<i>tert</i>-butylamino)-4-(<i>tert</i>-butylimino)naphthalen-1(4<i>H</i>)-one
• Authors of publication: Lamoureux, Guy; Alvarado-Rojas, Mónica; Pineda, Leslie W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 973 - 976
• a: 14.2792 ± 0.0018 Å
• b: 9.8936 ± 0.0013 Å
• c: 11.4978 ± 0.0013 Å
• α: 90°
• β: 97.539 ± 0.004°
• γ: 90°
• Cell volume: 1610.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1828
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes