Information card for entry 2213410

Structure parameters

• Common name: 2,8-dichloro Tröger's base
• Chemical name: 2,8-Dichloro-6<i>H</i>,12<i>H</i>-5,11- methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine
• Formula: C15 H12 Cl2 N2
• Calculated formula: C15 H12 Cl2 N2
• SMILES: Clc1ccc2N3Cc4c(N(Cc2c1)C3)ccc(Cl)c4
• Title of publication: 2,8-Dichloro-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine
• Authors of publication: Faroughi, Masoud; Try, Andrew C.; Turner, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2695 - o2695
• a: 6.3017 ± 0.0018 Å
• b: 10.203 ± 0.003 Å
• c: 10.685 ± 0.003 Å
• α: 83.059 ± 0.005°
• β: 77.303 ± 0.004°
• γ: 80.297 ± 0.005°
• Cell volume: 658.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes