Information card for entry 2217771

Structure parameters

• Chemical name: 1<i>H</i>-Indole-3-carbaldehyde azine
• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: c12ccccc1c(c[nH]2)C=NN=Cc1c2c(cccc2)[nH]c1
• Title of publication: 1<i>H</i>-Indole-3-carbaldehyde azine
• Authors of publication: Rizal, Mohd. Razali; Ali, Hapipah M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o555
• a: 5.0849 ± 0.0002 Å
• b: 10.6708 ± 0.0004 Å
• c: 13.4435 ± 0.0005 Å
• α: 90°
• β: 94.366 ± 0.003°
• γ: 90°
• Cell volume: 727.33 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.071
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes