Information card for entry 1545682

Structure parameters

• Common name: ((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide
• Chemical name: ((E)-4-((3,5-Dichloro-2-Hydroxybenzylidene)amino)benzamide
• Formula: C14 H10 Cl2 N2 O2
• Calculated formula: C14 H10 Cl2 N2 O2
• SMILES: Clc1c(O)c(/C=N/c2ccc(C(=O)N)cc2)cc(Cl)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: 7.2798 ± 0.0009 Å
• b: 13.2794 ± 0.0015 Å
• c: 14.5473 ± 0.0009 Å
• α: 87.618 ± 0.007°
• β: 80.816 ± 0.007°
• γ: 75.707 ± 0.01°
• Cell volume: 1345.3 ± 0.2 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: 0.1063
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No