Information card for entry 2205019

Structure parameters

• Chemical name: 3,4-(Methylenedioxy)benzaldehyde benzoylhydrazone ethanol solvate
• Formula: C17 H18 N2 O4
• Calculated formula: C17 H18 N2 O4
• SMILES: N(=C\c1ccc2OCOc2c1)/NC(=O)c1ccccc1.OCC
• Title of publication: 3,4-(Methylenedioxy)benzaldehyde benzoylhydrazone ethanol solvate
• Authors of publication: Ai-Xiu Li; Li-Li Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o277 - o279
• a: 11.163 ± 0.004 Å
• b: 6.651 ± 0.002 Å
• c: 21.519 ± 0.007 Å
• α: 90°
• β: 100.015 ± 0.006°
• γ: 90°
• Cell volume: 1573.3 ± 0.9 ų
• Cell temperature: 297 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes