Information card for entry 2016143

Structure parameters

• Chemical name: 1-(4-Chlorobenzylidene)-2-(4-iodobenzylidene)diazane
• Formula: C14 H10 Cl I N2
• Calculated formula: C14 H10 Cl I N2
• SMILES: Clc1ccc(cc1)/C=N/N=C\c1ccc(cc1)I
• Title of publication: Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine
• Authors of publication: Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o518 - o523
• a: 11.499 ± 0.002 Å
• b: 4.0006 ± 0.0007 Å
• c: 14.717 ± 0.003 Å
• α: 90°
• β: 90.9 ± 0.003°
• γ: 90°
• Cell volume: 676.9 ± 0.2 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes