Information card for entry 8106201

Structure parameters

• Formula: C8 H8 Cl N O S
• Calculated formula: C8 H8 Cl N O S
• Title of publication: Crystal structure of N-(2-chlorophenyl)methoxycarbothioamide, C8H8ClNOS
• 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: 3
• Pages of publication: 517 - 518
• a: 6.7658 ± 0.0005 Å
• b: 8.0344 ± 0.001 Å
• c: 9.6285 ± 0.0012 Å
• α: 66.279 ± 0.012°
• β: 72.245 ± 0.009°
• γ: 87.699 ± 0.008°
• Cell volume: 454.31 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No