Information card for entry 2005125

Structure parameters

• Formula: C14 H11 N3 O3 S
• Calculated formula: C14 H11 N3 O3 S
• Title of publication: 1-Benzoyl-3-(4-nitrophenyl)thiourea
• Authors of publication: Zhang, D.-C.; Zhang, Y.-Q.; Cao, Y.; Zhao, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1716 - 1718
• a: 4.098 ± 0.003 Å
• b: 25.665 ± 0.002 Å
• c: 12.989 ± 0.003 Å
• α: 90°
• β: 97.22 ± 0.05°
• γ: 90°
• Cell volume: 1355.3 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.63
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No