Information card for entry 7230320

Structure parameters

• Common name: 5Cl-5Me3SAP
• Chemical name: 4-chloro-6-[(E)-3-pyridylimino-5-methyl]phenol
• Formula: C13 H11 Cl N2 O
• Calculated formula: C13 H11 Cl 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: 5.8388 ± 0.0013 Å
• b: 7.4762 ± 0.0017 Å
• c: 13.369 ± 0.003 Å
• α: 93.793 ± 0.007°
• β: 93.656 ± 0.007°
• γ: 99.044 ± 0.007°
• Cell volume: 573.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No