Information card for entry 8102819

Structure parameters

• Chemical name: (E)-<i>N</i>'-(3-hydroxy-6-nitrobenzylidene)-4-methoxybenzohydrazide methanol solvate, C~15~H~13~N~3~O~5~.CH~4~O
• Formula: C16 H17 N3 O6
• Calculated formula: C16 H17 N3 O6
• SMILES: N(=C\c1c(N(=O)=O)ccc(O)c1)/NC(=O)c1ccc(OC)cc1.OC
• Title of publication: Crystal structure of (E)-N'-(3-hydroxy-6-nitrobenzylidene)-4-methoxybenzohydrazide —methanol (1:1), C15H13N3O5 · CH3OH
• Authors of publication: Guo-Biao Cao; Bing-Qin Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 715
• a: 10.997 ± 0.009 Å
• b: 12.458 ± 0.011 Å
• c: 12.671 ± 0.01 Å
• α: 90°
• β: 108.804 ± 0.011°
• γ: 90°
• Cell volume: 1643 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1355
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No