Information card for entry 7061642

Structure parameters

• Chemical name: Metformin saccharinate
• Formula: C11 H16 N6 O3 S
• Calculated formula: C11 H16 N6 O3 S
• SMILES: S1(=O)(=O)N=C([O-])c2c1cccc2.NC(=NC(N)=[N+](C)C)N
• Title of publication: Solid-state landscape and biopharmaceutical implications of novel metformin-based salts
• Authors of publication: Diniz, Luan F.; Carvalho, Paulo S.; Gonçalves, José E.; Diniz, Renata; Fernandes, Christian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 13725 - 13737
• a: 7.7925 ± 0.0004 Å
• b: 15.5421 ± 0.0006 Å
• c: 11.8517 ± 0.0006 Å
• α: 90°
• β: 92.794 ± 0.005°
• γ: 90°
• Cell volume: 1433.67 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No