Information card for entry 2210634

Structure parameters

• Chemical name: 5-Chloro-1H-indole-3-carbaldehyde benzoylhydrazone
• Formula: C16 H12 Cl N3 O
• Calculated formula: C16 H12 Cl N3 O
• SMILES: Clc1ccc2[nH]cc(c2c1)C=NNC(=O)c1ccccc1
• Title of publication: 5-Chloro-1<i>H</i>-indole-3-carbaldehyde benzoylhydrazone
• Authors of publication: Ali, Hapipah M.; Najwa, Mohd Idris; Xie, Ming-Jin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4529 - o4530
• a: 11.086 ± 0.0009 Å
• b: 5.9337 ± 0.0005 Å
• c: 21.625 ± 0.002 Å
• α: 90°
• β: 95.336 ± 0.001°
• γ: 90°
• Cell volume: 1416.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes