Information card for entry 2220806

Structure parameters

• Chemical name: (<i>E</i>)-2-[(2-Hydroxy-5-nitrophenyl)iminiomethyl]-4-nitrophenolate
• Formula: C13 H9 N3 O6
• Calculated formula: C13 H9 N3 O6
• Title of publication: (<i>E</i>)-2-[(2-Hydroxy-5-nitrophenyl)iminiomethyl]-4-nitrophenolate
• Authors of publication: Hijji, Yousef M.; Barare, Belygona; Butcher, Ray J.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o291 - o292
• a: 7.9649 ± 0.0001 Å
• b: 8.611 ± 0.0001 Å
• c: 19.119 ± 0.0003 Å
• α: 90°
• β: 98.433 ± 0.002°
• γ: 90°
• Cell volume: 1297.11 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes