Information card for entry 1545685

Structure parameters

• Common name: ((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide
• Chemical name: ((E)-4-((3,5-Diiodo-2-Hydroxybenzylidene)amino)benzamide
• Formula: C14 H10 I2 N2 O2
• Calculated formula: C14 H10 I2 N2 O2
• SMILES: Ic1c(O)c(/C=N/c2ccc(C(=O)N)cc2)cc(I)c1
• Title of publication: Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals
• Authors of publication: Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini
• Journal of publication: IUCrJ
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• a: 8.4678 ± 0.0006 Å
• b: 9.6066 ± 0.0007 Å
• c: 9.6522 ± 0.0007 Å
• α: 81.239 ± 0.002°
• β: 84.45 ± 0.002°
• γ: 72.336 ± 0.002°
• Cell volume: 738.36 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No