Information card for entry 1545683

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(cc(Cl)c1)/C=N/c1ccc(C(=O)N)cc1
• 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: 7.4309 ± 0.0014 Å
• b: 13.296 ± 0.002 Å
• c: 14.694 ± 0.003 Å
• α: 87.6 ± 0.006°
• β: 80.034 ± 0.007°
• γ: 75.859 ± 0.007°
• Cell volume: 1386.5 ± 0.4 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No