Information card for entry 2006936

Structure parameters

• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• SMILES: c1(ccc2ccccc2c1\C=[NH+]/c1nccc(c1)C)[O-]
• Title of publication: 1-[<i>N</i>-(4-Methyl-2-pyridyl)aminomethylidene]-2(1<i>H</i>)-naphthalenone
• Authors of publication: Elerman, Yalçin; Kabak, Mehmet; Elmali, Ayhan; Svoboda, Ingrid
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 128 - 130
• a: 6.574 ± 0.002 Å
• b: 13.798 ± 0.002 Å
• c: 14.838 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1345.9 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.18
• Weighted residual factors for significantly intense reflections: 0.14
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.228
• Diffraction radiation wavelength: 0.71093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No