Information card for entry 2210970

Structure parameters

• Common name: Naphthalene-1,5-diammonium dichloride
• Formula: C10 H12 Cl2 N2
• Calculated formula: C10 H12 Cl2 N2
• SMILES: c12c(cccc1c(ccc2)[NH3+])[NH3+].[Cl-].[Cl-]
• Title of publication: Naphthalene-1,5-diammonium dichloride
• Authors of publication: Boufas, Sihem; Merazig, Hocine; Bendjeddou, Lamia; Beghidja, Adel; Dénés, Georges
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5268 - o5270
• a: 8.5766 ± 0.0004 Å
• b: 5.165 ± 0.0004 Å
• c: 12.2001 ± 0.0007 Å
• α: 90°
• β: 102.394 ± 0.001°
• γ: 90°
• Cell volume: 527.85 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes