Information card for entry 2202085

Structure parameters

• Chemical name: N-benzoyl-N'-(2-hydroxyethyl)-Thiourea
• Formula: C10 H12 N2 O2 S
• Calculated formula: C10 H12 N2 O2 S
• SMILES: S=C(NC(=O)c1ccccc1)NCCO
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>'-(2-hydroxyethyl)thiourea
• Authors of publication: Zhang, You-Ming; Xian, Liang; Wei, Tai-Bao; Cai, Li-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o817 - o819
• a: 17.083 ± 0.003 Å
• b: 4.549 ± 0.001 Å
• c: 14.279 ± 0.003 Å
• α: 90°
• β: 102.44 ± 0.03°
• γ: 90°
• Cell volume: 1083.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes