Information card for entry 2236912

Structure parameters

• Common name: 1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea
• Chemical name: 1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea
• Formula: C16 H15 Cl N2 O S
• Calculated formula: C16 H15 Cl N2 O S
• SMILES: C(=O)(NC(=S)Nc1c(c(ccc1)C)C)c1c(cccc1)Cl
• Title of publication: 1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea
• Authors of publication: Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3483
• a: 7.489 ± 0.003 Å
• b: 9.338 ± 0.004 Å
• c: 13.274 ± 0.005 Å
• α: 65.674 ± 0.013°
• β: 69.975 ± 0.016°
• γ: 73.639 ± 0.017°
• Cell volume: 783.9 ± 0.6 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes