Information card for entry 1552119

Structure parameters

• Chemical name: 5-Amino-6-nitro-1,10-phenanthroline
• Formula: C12 H8 N4 O2
• Calculated formula: C12 H8 N4 O2
• SMILES: n1c2c3c(c(c(c2ccc1)N(=O)=O)N)cccn3
• Title of publication: 5-Amino-6-nitro-1,10-phenanthroline
• Authors of publication: Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 7
• Pages of publication: x191016
• a: 14.265 ± 0.008 Å
• b: 8.06 ± 0.004 Å
• c: 17.564 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.4 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes