Information card for entry 8104851

Structure parameters

• Common name: N-(Adamantan-1-yl)-piperidine-1-carbothioamide
• Formula: C16 H26 N2 S
• Calculated formula: C16 H26 N2 S
• Title of publication: The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S
• Authors of publication: Bari, Ahmed; Hosten, Eric C.; Abdulrahman, AlObaid; Usman, Ghani
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 429 - 430
• a: 6.4855 ± 0.0004 Å
• b: 20.111 ± 0.0012 Å
• c: 11.2575 ± 0.0007 Å
• α: 90°
• β: 92.014 ± 0.002°
• γ: 90°
• Cell volume: 1467.41 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No