Information card for entry 2232031

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)- 1<i>H</i>-indole-3-carbohydrazide
• Formula: C18 H16 Br N3 O3
• Calculated formula: C18 H16 Br N3 O3
• SMILES: Brc1cc(OC)c(O)c(c1)/C=N/NC(=O)Cc1c[nH]c2ccccc12
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-1<i>H</i>-indole-3-carbohydrazide
• Authors of publication: Li, Xiao-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2815
• a: 15.023 ± 0.003 Å
• b: 13.86 ± 0.003 Å
• c: 24.856 ± 0.004 Å
• α: 90°
• β: 102.192 ± 0.002°
• γ: 90°
• Cell volume: 5058.8 ± 1.7 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: 0.1606
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No