Information card for entry 2228253

Structure parameters

• Chemical name: Methyl 3-[(<i>E</i>)-2-hydroxy-1-naphthyl)methylidene]carbazate
• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• SMILES: c1cccc2c1ccc(c2C=NNC(=O)OC)O
• Title of publication: Methyl 3-[(<i>E</i>)-(2-hydroxy-1-naphthyl)methylidene]carbazate
• Authors of publication: Sheng, Liang-Quan; Xu, Hua-Jie; Du, Na-Na; Jiang, Xue-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3046
• a: 5.1754 ± 0.0003 Å
• b: 9.2787 ± 0.0005 Å
• c: 23.6766 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1136.97 ± 0.11 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes