Information card for entry 4507891

Structure parameters

• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• Title of publication: Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study
• Authors of publication: Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3308
• a: 10.7404 ± 0.0006 Å
• b: 5.7942 ± 0.0003 Å
• c: 11.8545 ± 0.0007 Å
• α: 90°
• β: 98.198 ± 0.002°
• γ: 90°
• Cell volume: 730.19 ± 0.07 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No