Information card for entry 2241923

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride
• Formula: C18 H26 Cl2 N4
• Calculated formula: C18 H26 Cl2 N4
• SMILES: C1CC([NH2+]Cc2cnccc2)CCC1[NH2+]Cc1cnccc1.[Cl-].[Cl-]
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride
• Authors of publication: Moon, Suk-Hee; Im, Hansu; Kim, Tae Ho; Park, Ki-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1728 - 1730
• a: 10.4637 ± 0.0002 Å
• b: 8.1942 ± 0.0002 Å
• c: 11.2797 ± 0.0002 Å
• α: 90°
• β: 107.812 ± 0.001°
• γ: 90°
• Cell volume: 920.78 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes