Information card for entry 7230319

Structure parameters

• Common name: 5Br-5M3SAP
• Chemical name: (E)-4-bromo-2-(((5-methylpyridin-3-yl)imino)methyl)phenol
• Formula: C13 H11 Br N2 O
• Calculated formula: C13 H11 Br N2 O
• Title of publication: Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives
• Authors of publication: Sugiyama, Haruki; Uekusa, Hidehiro
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 2144
• a: 5.8531 ± 0.0009 Å
• b: 7.5224 ± 0.0012 Å
• c: 13.598 ± 0.002 Å
• α: 94.526 ± 0.007°
• β: 93.369 ± 0.007°
• γ: 99.31 ± 0.007°
• Cell volume: 587.42 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No