Information card for entry 2215142

Structure parameters

• Chemical name: N-(3,4-Dichlorophenyl)-N'-decanoylthiourea
• Formula: C17 H24 Cl2 N2 O S
• Calculated formula: C17 H24 Cl2 N2 O S
• SMILES: Clc1cc(NC(=S)NC(=O)CCCCCCCCC)ccc1Cl
• Title of publication: <i>N</i>-(3,4-Dichlorophenyl)-<i>N</i>'-decanoylthiourea
• Authors of publication: Kadir, Maisara A.; Ahmad, Khadijah; Yusof, M. Sukeri M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3711 - o3711
• a: 4.7368 ± 0.0013 Å
• b: 11.295 ± 0.003 Å
• c: 18.324 ± 0.005 Å
• α: 88.289 ± 0.005°
• β: 83.774 ± 0.005°
• γ: 84.268 ± 0.004°
• Cell volume: 969.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes