Information card for entry 7201841

Structure parameters

• Common name: 1,2-bis(4-pyridinium)ethane saccharinate (1:2)
• Formula: C26 H22 N4 O6 S2
• Calculated formula: C26 H22 N4 O6 S2
• SMILES: C1(=O)c2ccccc2S(=O)([O-])=N1.c1cc(cc[nH+]1)CCc1cc[nH+]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: 7.577 ± 0.0008 Å
• b: 11.0722 ± 0.0013 Å
• c: 15.26 ± 0.002 Å
• α: 90°
• β: 90.809 ± 0.011°
• γ: 90°
• Cell volume: 1280.1 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No