Information card for entry 8106413

Structure parameters

• Formula: C19 H14 N2 O4
• Calculated formula: C19 H14 N2 O4
• SMILES: c1(ccccc1)Oc1ccccc1/N=C/c1c(ccc(c1)N(=O)=O)O
• Title of publication: Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4
• Authors of publication: Köysal, Yavuz; Bülbül, Hakan; Kantar, Esen Nur; Coşkun, Emine; Şahin, Songül; Dege, Necmi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 9 - 10
• a: 11.8219 ± 0.0012 Å
• b: 6.121 ± 0.0004 Å
• c: 22.356 ± 0.002 Å
• α: 90°
• β: 94.403 ± 0.008°
• γ: 90°
• Cell volume: 1612.9 ± 0.2 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: 0.1662
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No