Information card for entry 7129900

Structure parameters

• Common name: Indapamide
• Formula: C16 H17 Cl N3 O3.5 S
• Calculated formula: C16 H17 Cl N3 O3.5 S
• SMILES: Clc1c(S(=O)(=O)N)cc(C(=O)NN2C(Cc3c2cccc3)C)cc1.O
• Title of publication: Resolving alternative structure determinations of indapamide using 13C solid-state NMR
• Authors of publication: Evans, Caitlin L.; Evans, Ivana Radosavlijević; Hodgkinson, Paul
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 30.1401 ± 0.001 Å
• b: 9.6025 ± 0.0004 Å
• c: 23.4611 ± 0.0008 Å
• α: 90°
• β: 92.593 ± 0.001°
• γ: 90°
• Cell volume: 6783.2 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No