Information card for entry 2220665

Structure parameters

• Common name: 5-Chloro-1<i>H</i>-indole-3-carbaldehyde 3,4,5-trihydroxyphenylhydrazone
• Chemical name: <i>N</i>'-[(5-Chloro-1<i>H</i>-indol-3-yl)methylene]-3,4,5-\ trihydroxybenzohydrazide
• Formula: C16 H12 Cl N3 O4
• Calculated formula: C16 H12 Cl N3 O4
• SMILES: Clc1cc2c(C=NNC(=O)c3cc(O)c(O)c(O)c3)c[nH]c2cc1
• Title of publication: <i>N</i>'-[(5-Chloro-1<i>H</i>-indol-3-yl)methylene]-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: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o169
• a: 9.6481 ± 0.0002 Å
• b: 15.1408 ± 0.0003 Å
• c: 10.2206 ± 0.0002 Å
• α: 90°
• β: 98.232 ± 0.001°
• γ: 90°
• Cell volume: 1477.64 ± 0.05 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: 0.0408
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes