Information card for entry 2239104

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-[ethyl(2-hydroxyethyl)carbamothioyl]benzamide
• Formula: C12 H14 Cl2 N2 O2 S
• Calculated formula: C12 H14 Cl2 N2 O2 S
• SMILES: OCCN(C(=S)NC(=O)c1ccc(cc1Cl)Cl)CC
• Title of publication: 2,4-Dichloro-<i>N</i>-[ethyl(2-hydroxyethyl)carbamothioyl]benzamide
• Authors of publication: Yamin, Bohari M.; Sapari, Suhaila; Hasbullah, Siti Aishah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o33
• a: 6.9712 ± 0.0004 Å
• b: 10.6989 ± 0.0006 Å
• c: 19.3288 ± 0.001 Å
• α: 90°
• β: 96.441 ± 0.002°
• γ: 90°
• Cell volume: 1432.52 ± 0.14 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes