Information card for entry 8106199

Structure parameters

• Formula: C9 H10 Cl N O S
• Calculated formula: C9 H10 Cl N O S
• Title of publication: Crystal structure of N-(3-chlorophenyl)ethoxycarbothioamide, C9H10ClNOS
• Authors of publication: Tan, Yee Seng; 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: 511 - 512
• a: 18.8783 ± 0.0006 Å
• b: 4.5518 ± 0.0002 Å
• c: 23.6739 ± 0.0008 Å
• α: 90°
• β: 91.501 ± 0.004°
• γ: 90°
• Cell volume: 2033.61 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No