Information card for entry 7203544

Structure parameters

• Common name: Saccharin, pyridine
• Chemical name: Saccharin, pyridine
• Formula: C12 H10 N2 O3 S
• Calculated formula: C12 H10 N2 O3 S
• SMILES: S1(=O)([O-])=NC(=O)c2ccccc12.[nH+]1ccccc1
• Title of publication: Synthon robustness in saccharinate salts of some substituted pyridines
• Authors of publication: Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 680
• a: 7.4613 ± 0.0015 Å
• b: 12.954 ± 0.003 Å
• c: 14.179 ± 0.003 Å
• α: 65.251 ± 0.002°
• β: 74.747 ± 0.003°
• γ: 78.16 ± 0.003°
• Cell volume: 1193.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No