Information card for entry 2015889

Structure parameters

• Common name: 3-iodobenzaldehyde azine
• Chemical name: (E,E)-1,4-bis(3-iodophenyl)-2,3-diazabuta-1,3-diene
• Formula: C14 H10 I2 N2
• Calculated formula: C14 H10 I2 N2
• SMILES: Ic1cccc(c1)/C=N/N=C/c1cccc(c1)I
• Title of publication: Isomeric Schiff bases related by dual imino-group reversals
• Authors of publication: Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o207 - o211
• a: 4.1216 ± 0.0004 Å
• b: 15.2474 ± 0.0016 Å
• c: 11.0751 ± 0.0012 Å
• α: 90°
• β: 90.707 ± 0.002°
• γ: 90°
• Cell volume: 695.95 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0156
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes