Information card for entry 7230326

Structure parameters

• Common name: 35Cl-3SAP
• Chemical name: 2,4-dichloro6-[(E)-3-pyridyliminomethyl]phenol
• Formula: C12 H8 Cl2 N2 O
• Calculated formula: C12 H8 Cl2 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: 26.1636 ± 0.0006 Å
• b: 3.8091 ± 0.0001 Å
• c: 34.4455 ± 0.0006 Å
• α: 90°
• β: 137.464 ± 0.001°
• γ: 90°
• Cell volume: 2320.78 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No