Information card for entry 2230434

Structure parameters

• Chemical name: <i>N</i>-(Adamantan-1-yl)-2-chloroacetamide
• Formula: C12 H18 Cl N O
• Calculated formula: C12 H18 Cl N O
• SMILES: ClCC(=O)NC12CC3CC(C1)CC(C2)C3
• Title of publication: <i>N</i>-(Adamantan-1-yl)-2-chloroacetamide
• Authors of publication: Onajole, Oluseye K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1444
• a: 9.3656 ± 0.0002 Å
• b: 13.7515 ± 0.0003 Å
• c: 18.7917 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2420.2 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes