Information card for entry 8106448

Structure parameters

• Formula: C9 H11 Cl N2 S
• Calculated formula: C9 H11 Cl N2 S
• Title of publication: Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Hegazy, Amany S.; Kariuki, Benson M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 105 - 107
• a: 14.844 ± 0.0004 Å
• b: 7.2002 ± 0.0002 Å
• c: 10.092 ± 0.0002 Å
• α: 90°
• β: 99.733 ± 0.002°
• γ: 90°
• Cell volume: 1063.11 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No