Information card for entry 2022844

Structure parameters

• Chemical name: 4-(Dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate
• Formula: C8 H16 Cl2 N2 O2
• Calculated formula: C8 H16 Cl2 N2 O2
• Title of publication: Crystal structure studies and Hirshfeld surface analysis of 4-(dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate at 90 K
• Authors of publication: Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Divakara, Thayamma R.; Geetha, Doreswamy; Yathirajan, Hemmige S.; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 9
• a: 9.6493 ± 0.0007 Å
• b: 13.0873 ± 0.0008 Å
• c: 10.4634 ± 0.0007 Å
• α: 90°
• β: 117.188 ± 0.002°
• γ: 90°
• Cell volume: 1175.36 ± 0.14 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes