Information card for entry 8105523

Structure parameters

• Formula: C16 H15 N3 O4
• Calculated formula: C16 H15 N3 O4
• SMILES: O(/N=C(/c1ccc(/N=C/c2c(O)ccc(N(=O)=O)c2)cc1)C)C
• Title of publication: Crystal structure of 1-{4-[(2-hydroxy-5-nitrobenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15N3O4
• Authors of publication: Wei, Ping; Li, Qing-Lin; Ma, Jin-Xia; Fu, Tao; Zhao, Ji-Xing; Zhao, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 9 - 10
• a: 6.473 ± 0.0005 Å
• b: 8.1564 ± 0.0006 Å
• c: 27.511 ± 0.002 Å
• α: 90°
• β: 90.113 ± 0.002°
• γ: 90°
• Cell volume: 1452.48 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0926
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No