Information card for entry 2220155

Structure parameters

• Common name: <i>meta</i>-Phenylenediamine
• Chemical name: <i>m</i>-Phenylenediamine
• Formula: C6 H8 N2
• Calculated formula: C6 H8 N2
• SMILES: Nc1cc(N)ccc1
• Title of publication: <i>m</i>-Phenylenediamine
• Authors of publication: Betz, Richard; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2501
• a: 8.135 ± 0.0004 Å
• b: 12.008 ± 0.0006 Å
• c: 23.9003 ± 0.0016 Å
• α: 90°
• β: 90.818 ± 0.005°
• γ: 90°
• Cell volume: 2334.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes