Information card for entry 2206702

Structure parameters

• Common name: Hydrochlorothiazide form II
• Formula: C7 H8 Cl N3 O4 S2
• Calculated formula: C7 H8 Cl N3 O4 S2
• SMILES: Clc1c(S(=O)(=O)N)cc2S(=O)(=O)NCNc2c1
• Title of publication: Powder study of hydrochlorothiazide form II
• Authors of publication: Florence, Alastair; Johnston, Andrea; Fernandes, Philippe; Shankland, Kenneth; Stevens, Howard N. E.; Osmundsen, Sigrunn; Mullen, Alexander B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2798 - o2800
• a: 9.4884 ± 0.0005 Å
• b: 8.3334 ± 0.0004 Å
• c: 15.1309 ± 0.0007 Å
• α: 90°
• β: 113.209 ± 0.0019°
• γ: 90°
• Cell volume: 1099.59 ± 0.09 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: 1.641
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No