Information card for entry 7057046

Structure parameters

• Formula: C9 H8 N2 O
• Calculated formula: C9 H8 N2 O
• Title of publication: Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes
• Authors of publication: Tarai, Arup; Baruah, Jubaraj B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4757
• a: 8.6883 ± 0.001 Å
• b: 11.8246 ± 0.0016 Å
• c: 15.412 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No