Information card for entry 7230334

Structure parameters

• Common name: 4OH-3SAP
• Chemical name: 3hydroxy-6-[(E)-3-pyridyliminomethyl]phenol
• Formula: C12 H10 N2 O2
• Calculated formula: C12 H10 N2 O2
• 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: 13.1386 ± 0.0003 Å
• b: 7.1572 ± 0.0002 Å
• c: 11.8627 ± 0.0002 Å
• α: 90°
• β: 116.8 ± 0.001°
• γ: 90°
• Cell volume: 995.69 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No