Information card for entry 8105637

Structure parameters

• Formula: C12 H21 Cl2 N3 O2
• Calculated formula: C12 H21 Cl2 N3 O2
• Title of publication: Crystal structure of 2-(piperidin-1-ium-4-yl)-1H-benzo[d]imidazol-3-ium dichloride dihydrate, C12H21Cl2N3O2
• Authors of publication: Cai, Bin; Li, Shu-Jing; Liu, Gui-Jie; Shi, Xiao-Ming; Du, Chao-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 337 - 339
• a: 7.2704 ± 0.0007 Å
• b: 11.475 ± 0.0012 Å
• c: 18.7004 ± 0.0019 Å
• α: 90°
• β: 95.475 ± 0.002°
• γ: 90°
• Cell volume: 1553 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No