Information card for entry 2239695

Structure parameters

• Chemical name: 1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea
• Formula: C10 H17 N3 S
• Calculated formula: C10 H17 N3 S
• Title of publication: 1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea
• Authors of publication: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o827 - o828
• a: 8.4772 ± 0.0015 Å
• b: 11.18 ± 0.002 Å
• c: 19.766 ± 0.004 Å
• α: 77.864 ± 0.003°
• β: 82.777 ± 0.003°
• γ: 74.879 ± 0.003°
• Cell volume: 1763.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes