Information card for entry 7201845

Structure parameters

• Common name: 2,2'-dipyridiniumamine saccharinate (1:1)
• Formula: C17 H14 N4 O3 S
• Calculated formula: C17 H14 N4 O3 S
• SMILES: n1c(Nc2[nH+]cccc2)cccc1.S1(=O)([O-])=NC(=O)c2ccccc12
• 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: 9.635 ± 0.002 Å
• b: 13.385 ± 0.004 Å
• c: 14.149 ± 0.003 Å
• α: 105.658 ± 0.003°
• β: 91.773 ± 0.002°
• γ: 110.444 ± 0.002°
• Cell volume: 1630.4 ± 0.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No