Information card for entry 2218920

Structure parameters

• Chemical name: <i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3,4,5-trihydroxybenzohydrazide dihydrate
• Formula: C14 H15 Br N2 O7
• Calculated formula: C14 H15 Br N2 O7
• SMILES: Brc1ccc(O)c(c1)/C=N/NC(=O)c1cc(O)c(O)c(O)c1.O.O
• Title of publication: <i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-3,4,5-trihydroxybenzohydrazide dihydrate
• Authors of publication: Alhadi, Abeer A.; Ali, Hapipah M.; Puvaneswary, Subramaniam; Robinson, Ward T.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1584
• a: 30.8424 ± 0.0008 Å
• b: 3.7999 ± 0.0001 Å
• c: 12.8484 ± 0.0004 Å
• α: 90°
• β: 90.28 ± 0.002°
• γ: 90°
• Cell volume: 1505.79 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes