Information card for entry 8106132

Structure parameters

• Formula: C10 H13 N O S
• Calculated formula: C10 H13 N O S
• Title of publication: Crystal structure of N-(2-methylphenyl)ethoxycarbothioamide, C10H13NOS
• Authors of publication: Yeo, Chien Ing; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 299 - 301
• a: 7.2099 ± 0.0005 Å
• b: 9.9751 ± 0.0006 Å
• c: 15.0463 ± 0.0009 Å
• α: 80.56 ± 0.005°
• β: 81.827 ± 0.005°
• γ: 73.887 ± 0.006°
• Cell volume: 1020.19 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No