Information card for entry 2210635

Structure parameters

• Chemical name: 5-Chloro-1H-indole-3-carbaldehyde 4-chlorobenzoylhydrazone
• Formula: C16 H11 Cl2 N3 O
• Calculated formula: C16 H11 Cl2 N3 O
• SMILES: Clc1ccc(cc1)C(=O)N\N=C\c1c[nH]c2ccc(Cl)cc12
• Title of publication: 5-Chloro-1<i>H</i>-indole-3-carbaldehyde 4-chlorobenzoylhydrazone
• 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: o4531 - o4532
• a: 8.7172 ± 0.0008 Å
• b: 8.6686 ± 0.0008 Å
• c: 19.96 ± 0.002 Å
• α: 90°
• β: 93.202 ± 0.001°
• γ: 90°
• Cell volume: 1505.9 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes