Information card for entry 2207287

Structure parameters

• Chemical name: 1H-Indole-3-carbaldehyde 2-nitrophenylhydrazone hemihydrate
• Formula: C16 H13 N4 O3.5
• Calculated formula: C16 H13 N4 O3.5
• SMILES: O=N(=O)c1c(cccc1)C(=O)NN=Cc1c[nH]c2c1cccc2.O
• Title of publication: 1<i>H</i>-Indole-3-carbaldehyde 2-nitrobenzoylhydrazone hemihydrate
• 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: 11
• Pages of publication: o3651 - o3652
• a: 28.983 ± 0.002 Å
• b: 6.0809 ± 0.0005 Å
• c: 16.559 ± 0.001 Å
• α: 90°
• β: 95.397 ± 0.002°
• γ: 90°
• Cell volume: 2905.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.113
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes