Information card for entry 7230332

Structure parameters

• Common name: 5Br3SAP-2OHBA
• Chemical name: 4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/2hydroxybenzoic acid
• Formula: C19 H15 Br N2 O4
• Calculated formula: C19 H15 Br N2 O4
• 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: 3.8264 ± 0.0001 Å
• b: 20.7111 ± 0.0007 Å
• c: 21.2587 ± 0.0008 Å
• α: 90°
• β: 93.89 ± 0.002°
• γ: 90°
• Cell volume: 1680.85 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No