Information card for entry 2218783

Structure parameters

• Chemical name: N,N'-Bis[2-(methoxycarbonyl)ethyl]ethane-1,2-diammonium dichloride
• Formula: C10 H22 Cl2 N2 O4
• Calculated formula: C10 H22 Cl2 N2 O4
• SMILES: [NH2+](CC[NH2+]CCC(=O)OC)CCC(=O)OC.[Cl-].[Cl-]
• Title of publication: <i>N</i>,<i>N</i>'-Bis[2-(methoxycarbonyl)ethyl]ethane-1,2-diammonium dichloride
• Authors of publication: Kaluderović, Goran N.; Paethanom, Anchan; Wagner, Christoph; Sabo, Tibor J.; Schmidt, Harry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1232
• a: 8.903 ± 0.0008 Å
• b: 10.3327 ± 0.001 Å
• c: 8.3269 ± 0.001 Å
• α: 90°
• β: 101.763 ± 0.01°
• γ: 90°
• Cell volume: 749.92 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes