Information card for entry 2206674

Structure parameters

• Common name: Hydrochlorothiazide‒methyl acetate (1/1)
• Formula: C10 H14 Cl N3 O6 S2
• Calculated formula: C10 H14 Cl N3 O6 S2
• SMILES: Clc1c(S(=O)(=O)N)cc2S(=O)(=O)NCNc2c1.CC(=O)OC
• Title of publication: Powder study of hydrochlorothiazide‒methyl acetate (1/1)
• Authors of publication: Florence, Alastair J.; Johnston, Andrea; Shankland, Kenneth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2974 - o2977
• a: 9.39703 ± 0.00016 Å
• b: 7.28424 ± 0.00016 Å
• c: 21.9483 ± 0.0003 Å
• α: 90°
• β: 95.802 ± 0.0011°
• γ: 90°
• Cell volume: 1494.67 ± 0.05 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Goodness-of-fit parameter for all reflections: 1.448
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No