Information card for entry 2220012

Structure parameters

• Chemical name: <i>N</i>'-(5-Bromo-1<i>H</i>-indol-3-ylmethylidene)-3,4,5- trihydroxybenzohydrazide
• Formula: C16 H12 Br N3 O4
• Calculated formula: C16 H12 Br N3 O4
• SMILES: Brc1cc2c(C=NNC(=O)c3cc(O)c(O)c(O)c3)c[nH]c2cc1
• Title of publication: <i>N</i>'-(5-Bromo-1<i>H</i>-indol-3-ylmethylidene)-3,4,5-trihydroxybenzohydrazide
• Authors of publication: Khaledi, Hamid; Mohd Ali, Hapipah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2108
• a: 9.6454 ± 0.0002 Å
• b: 14.9694 ± 0.0004 Å
• c: 10.3845 ± 0.0002 Å
• α: 90°
• β: 97.39 ± 0.001°
• γ: 90°
• Cell volume: 1486.92 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes