Information card for entry 2015382

Structure parameters

• Common name: saccharin, hydrazine
• Chemical name: hydrazinium saccharinate
• Formula: C7 H9 N3 O3 S
• Calculated formula: C7 H9 N3 O3 S
• SMILES: S1(=O)(=O)N=C([O-])c2ccccc12.[NH3+]N
• Title of publication: Solid-state architecture of saccharin salts of some diamines
• Authors of publication: Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o346 - o349
• a: 7.8647 ± 0.0018 Å
• b: 11.776 ± 0.003 Å
• c: 15.904 ± 0.004 Å
• α: 70.095 ± 0.003°
• β: 87.137 ± 0.004°
• γ: 78.855 ± 0.004°
• Cell volume: 1358.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No