Information card for entry 8106458

Structure parameters

• Formula: C17 H12 N2 O3
• Calculated formula: C17 H12 N2 O3
• SMILES: c1(c(ccc(c1)O)N(=O)=O)/C=N/c1c2ccccc2ccc1
• Title of publication: Crystal structure of (E)-3-((naphthalen-1-ylimino)methyl)-4-nitrophenol, C17H12N2O3
• Authors of publication: Bülbül, Hakan; Köysal, Yavuz; Macit, Mustafa; Yaman, Rukiye; Dege, Necmi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 135 - 136
• a: 7.2641 ± 0.0005 Å
• b: 12.3968 ± 0.0006 Å
• c: 16.1786 ± 0.0013 Å
• α: 90°
• β: 108.2 ± 0.006°
• γ: 90°
• Cell volume: 1384.02 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1635
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No