Information card for entry 8105394

Structure parameters

• Formula: C11 H19 N3 S
• Calculated formula: C11 H19 N3 S
• Title of publication: Crystal structure of 1-(adamantan-1-yl)-3-aminothiourea, C11H19N3S
• Authors of publication: Al-Mutairi, Aamal A.; Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Tiekink, Edward R.T.; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1115 - 1117
• a: 10.789 ± 0.003 Å
• b: 6.959 ± 0.003 Å
• c: 15.196 ± 0.004 Å
• α: 90°
• β: 96.843 ± 0.013°
• γ: 90°
• Cell volume: 1132.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No