Information card for entry 2108892

Structure parameters

• Common name: Hydrochlorothiazide
• Chemical name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7- sulfonamide
• Formula: C7 H8 Cl N3 O4 S2
• Calculated formula: C7 H8 Cl N3 O4 S2
• Title of publication: Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties
• Authors of publication: Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna Marta
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 965 - 973
• a: 7.3288 ± 0.0001 Å
• b: 8.5032 ± 0.0001 Å
• c: 9.9467 ± 0.0001 Å
• α: 90°
• β: 111.29 ± 0.001°
• γ: 90°
• Cell volume: 577.558 ± 0.013 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for all reflections included in the refinement: 0.019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No