Information card for entry 2235916

Structure parameters

• Chemical name: 4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone
• Formula: C26 H22 N4 S
• Calculated formula: C26 H22 N4 S
• SMILES: S=C(Nc1ccccc1)N/N=C/c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: 4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone
• Authors of publication: Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; García-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2402 - o2403
• a: 13.6069 ± 0.0003 Å
• b: 15.2763 ± 0.0003 Å
• c: 11.2778 ± 0.0002 Å
• α: 90°
• β: 104.094 ± 0.002°
• γ: 90°
• Cell volume: 2273.67 ± 0.08 ų
• Cell temperature: 285.4 K
• Ambient diffraction temperature: 285.4 K
• Number of distinct elements: 4
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes