Information card for entry 2105755

Structure parameters

• Formula: C18 H24 Cl2 N8 O10 S4
• Calculated formula: C18 H24 Cl2 N8 O10 S4
• SMILES: Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N.Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N.NC(=O)CCC(=O)N
• Title of publication: Tuning solubility and stability of hydrochlorothiazide co-crystals
• Authors of publication: Sanphui, Palash; Rajput, Lalit
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 81 - 90
• a: 17.857 ± 0.007 Å
• b: 10.363 ± 0.004 Å
• c: 14.548 ± 0.005 Å
• α: 90°
• β: 96.459 ± 0.004°
• γ: 90°
• Cell volume: 2675 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No