Information card for entry 2208938

Structure parameters

• Common name: hydrochlorothiazide N,N-dimethylformamide solvate
• Chemical name: 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide dimethylformamide solvate
• Formula: C10 H15 Cl N4 O5 S2
• Calculated formula: C10 H15 Cl N4 O5 S2
• SMILES: Clc1c(S(=O)(=O)N)cc2S(=O)(=O)NCNc2c1.O=CN(C)C
• Title of publication: Hydrochlorothiazide <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1730 - o1732
• a: 7.3028 ± 0.0002 Å
• b: 9.1492 ± 0.0002 Å
• c: 23.6989 ± 0.0006 Å
• α: 86.194 ± 0.001°
• β: 89.841 ± 0.001°
• γ: 72.855 ± 0.001°
• Cell volume: 1509.5 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.8466 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes