Information card for entry 2213165

Structure parameters

• Chemical name: 1-{2-[(4-Nitrobenzylidene)amino]phenyl}-3-phenylthiourea
• Formula: C20 H16 N4 O2 S
• Calculated formula: C20 H16 N4 O2 S
• SMILES: c1(ccc(cc1)/C=N/c1ccccc1NC(=S)Nc1ccccc1)N(=O)=O
• Title of publication: 1-{2-[(4-Nitrobenzylidene)amino]phenyl}-3-phenylthiourea
• Authors of publication: D. Gayathri; D. Velmurugan; K. Ravikumar; S. Devaraj; M. Kandaswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2226 - o2227
• a: 7.2705 ± 0.0006 Å
• b: 11.0178 ± 0.0009 Å
• c: 12.0137 ± 0.0009 Å
• α: 84.776 ± 0.001°
• β: 85.675 ± 0.001°
• γ: 75.405 ± 0.001°
• Cell volume: 926.06 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes