Information card for entry 7151393

Structure parameters

• Chemical name: N-(3,5-dichlorosalicylidene)-2,6-dimethylaniline
• Formula: C15 H13 Cl2 N O
• Calculated formula: C15 H13 Cl2 N O
• SMILES: c1(c(c(cc(c1)Cl)Cl)O)/C=N/c1c(C)cccc1C
• Title of publication: Crystalline photochromism of N-salicylidene-2,6-dialkylanilines: advantage of 2,6-dialkyl substituents of aniline for preparation of photochromic Schiff base crystals
• Authors of publication: Fukuda, Hisatane; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1578
• a: 12.717 ± 0.001 Å
• b: 9.179 ± 0.003 Å
• c: 13.527 ± 0.002 Å
• α: 90°
• β: 116.965 ± 0.009°
• γ: 90°
• Cell volume: 1407.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No