Information card for entry 8102697

Structure parameters

• Chemical name: N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide methanol solvate
• Formula: C16 H19 N3 O4
• Calculated formula: C16 H19 N3 O4
• SMILES: C(=NNC(=O)c1ccncc1)c1cc(OCC)c(cc1)O.OC
• Title of publication: Crystal structure of N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide — methanol (1:1), C15H15N3O3 · CH3OH
• Authors of publication: Heng-Yu Qian; Zhen-Xin Zhao; Chun-Xia Zhan; Zhi-Gang Yin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 383
• a: 11.2785 ± 0.0008 Å
• b: 6.4429 ± 0.0003 Å
• c: 11.8901 ± 0.0008 Å
• α: 90°
• β: 109.068 ± 0.008°
• γ: 90°
• Cell volume: 816.6 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No