Information card for entry 2011685

Structure parameters

• Chemical name: Phenazine-2,3-diamine
• Formula: C12 H10 N4
• Calculated formula: C12 H10 N4
• SMILES: Nc1cc2nc3ccccc3nc2cc1N
• Title of publication: Phenazine-2,3-diamine
• Authors of publication: Doyle, Robert P.; Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 104 - 105
• a: 4.8355 ± 0.0008 Å
• b: 11.583 ± 0.002 Å
• c: 17.304 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 969.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No