Information card for entry 4507703

Structure parameters

• Formula: C10 H26 Cl2 N2 O2
• Calculated formula: C10 H26 Cl2 N2 O2
• SMILES: CC[C@@H](CO)[NH2+]CC[NH2+][C@@H](CC)CO.[Cl-].[Cl-]
• Title of publication: Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol
• Authors of publication: Cherukuvada, Suryanarayan; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1752
• a: 6.432 ± 0.002 Å
• b: 22.966 ± 0.009 Å
• c: 5.0934 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 752.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No