Information card for entry 7051256

Structure parameters

• Common name: 5,10-Dihydrophenazine
• Formula: C12 H10 N2
• Calculated formula: C12 H10 N2
• SMILES: c1cc2Nc3ccccc3Nc2cc1
• Title of publication: Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes
• Authors of publication: Thalladi, Venkat R.; Smolka, Tanja; Gehrke, Annette; Boese, Roland; Sustmann, Reiner
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 143
• a: 10.7727 ± 0.0014 Å
• b: 7.5924 ± 0.0009 Å
• c: 21.775 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No