Information card for entry 2232477

Structure parameters

• Chemical name: 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde
• Formula: C13 H8 Cl2 N2 O2
• Calculated formula: C13 H8 Cl2 N2 O2
• SMILES: Clc1c(N=C2C(=C(N)C(=O)C=C2)C=O)c(Cl)ccc1
• Title of publication: 2-Amino-6-[(2,6-dichlorophenyl)imino]-3-oxocyclohexa-1,4-dienecarbaldehyde
• Authors of publication: Neves, Cláudia M. B.; Fernandes, José A.; Simões, Mário M. Q.; Neves, M. Graça P. M. S.; Cavaleiro, José A. S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3022 - o3023
• a: 17.1738 ± 0.0014 Å
• b: 10.5718 ± 0.0008 Å
• c: 14.1457 ± 0.0011 Å
• α: 90°
• β: 101.192 ± 0.005°
• γ: 90°
• Cell volume: 2519.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes