Information card for entry 2206549

Structure parameters

• Chemical name: 5-Bromo-1H-indole-3-carbaldehyde 3-methoxybenzoylhydrazone
• Formula: C17 H14 Br N3 O2
• Calculated formula: C17 H14 Br N3 O2
• SMILES: Brc1cc2c(C=NNC(=O)c3cc(OC)ccc3)c[nH]c2cc1
• Title of publication: 5-Bromo-1<i>H</i>-indole-3-carbaldehyde 3-methoxybenzoylhydrazone
• Authors of publication: Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2417 - o2418
• a: 19.257 ± 0.004 Å
• b: 8.904 ± 0.003 Å
• c: 19.4 ± 0.004 Å
• α: 90°
• β: 108.33 ± 0.017°
• γ: 90°
• Cell volume: 3157.6 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes