Information card for entry 2217391

Structure parameters

• Chemical name: 1-{2-[(Anthracen-10-yl)methyleneamino]phenyl}-3-phenylthiourea
• Formula: C28 H21 N3 S
• Calculated formula: C28 H21 N3 S
• SMILES: c1ccccc1NC(=S)Nc1ccccc1/N=C/c1c2ccccc2cc2ccccc12
• Title of publication: 1-{2-[(Anthracen-10-yl)methyleneamino]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: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o408 - o408
• a: 6.6148 ± 0.0006 Å
• b: 14.3154 ± 0.0012 Å
• c: 23.823 ± 0.002 Å
• α: 74.045 ± 0.001°
• β: 88.705 ± 0.001°
• γ: 87.421 ± 0.001°
• Cell volume: 2166.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes