Information card for entry 7230329

Structure parameters

• Common name: 5Br3SAP-14IBz
• Chemical name: 4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobenzene
• Formula: C15 H11 Br I N2 O
• Calculated formula: C15 H11 Br I 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: 33.7985 ± 0.0006 Å
• b: 6.9174 ± 0.0001 Å
• c: 6.1746 ± 0.0001 Å
• α: 90°
• β: 92.79 ± 0.001°
• γ: 90°
• Cell volume: 1441.9 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No