Information card for entry 7230325

Structure parameters

• Common name: 35Br-3SAP
• Chemical name: 2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol
• Formula: C12 H8 Br2 N2 O
• Calculated formula: C12 H8 Br2 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: 14.6532 ± 0.0003 Å
• b: 4.5263 ± 0.0001 Å
• c: 18.6301 ± 0.0004 Å
• α: 90°
• β: 92.499 ± 0.002°
• γ: 90°
• Cell volume: 1234.46 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No