Information card for entry 7230316

Structure parameters

• Common name: 5OMe-3SAP
• Chemical name: 4-methoxy-2-[(E)-3-pyridyliminomethyl]phenol
• Formula: C13 H12 N2 O2
• Calculated formula: C13 H12 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: 6.1596 ± 0.0004 Å
• b: 7.4634 ± 0.0004 Å
• c: 12.7106 ± 0.0006 Å
• α: 77.175 ± 0.003°
• β: 81.457 ± 0.003°
• γ: 78.821 ± 0.003°
• Cell volume: 555.53 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No