Information card for entry 2220634

Structure parameters

• Chemical name: <i>N</i>'-(2-Hydroxy-3-methoxybenzylidene)-1,3-benzodioxole-5-carbohydrazide monohydrate
• Formula: C16 H16 N2 O6
• Calculated formula: C16 H16 N2 O6
• SMILES: Oc1c(cccc1OC)C=NNC(=O)c1cc2OCOc2cc1.O
• Title of publication: <i>N</i>'-(2-Hydroxy-3-methoxybenzylidene)-1,3-benzodioxole-5-carbohydrazide monohydrate
• Authors of publication: Du, Chun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o29
• a: 4.792 ± 0.002 Å
• b: 12.916 ± 0.003 Å
• c: 24.002 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1485.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes