Information card for entry 7201844

Structure parameters

• Common name: 1,4-Dimethylpiperazinium saccharinate (1:2)
• Formula: C20 H24 N4 O6 S2
• Calculated formula: C20 H24 N4 O6 S2
• SMILES: C1(=O)c2ccccc2S(=O)([O-])=N1.C[NH+]1CC[NH+](C)CC1.C1(=O)c2ccccc2S(=O)([O-])=N1
• Title of publication: Solid state structural studies of saccharin salts with some heterocyclic bases
• Authors of publication: Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 996
• a: 7.973 ± 0.002 Å
• b: 15.413 ± 0.003 Å
• c: 9.293 ± 0.002 Å
• α: 90°
• β: 104.555 ± 0.01°
• γ: 90°
• Cell volume: 1105.3 ± 0.4 ų
• Cell temperature: 298 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 significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No