Information card for entry 2222286

Structure parameters

• Chemical name: <i>N</i>'-(5-Bromo-2-methoxybenzylidene)-3,4-methylenedioxybenzohydrazide
• Formula: C16 H13 Br N2 O4
• Calculated formula: C16 H13 Br N2 O4
• SMILES: Brc1ccc(OC)c(c1)C=NNC(=O)c1cc2OCOc2cc1
• Title of publication: <i>N</i>'-(5-Bromo-2-methoxybenzylidene)-3,4-methylenedioxybenzohydrazide
• Authors of publication: Sang, Ya-Li; Lin, Xue-Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1636
• a: 12.678 ± 0.001 Å
• b: 16.217 ± 0.002 Å
• c: 7.846 ± 0.002 Å
• α: 90°
• β: 104.804 ± 0.003°
• γ: 90°
• Cell volume: 1559.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0782
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes