Information card for entry 2206173

Structure parameters

• Chemical name: 4-phenyl-1-(1-phenylethylidene)thiosemicarbazide
• Formula: C15 H15 N3 S
• Calculated formula: C15 H15 N3 S
• SMILES: S=C(N\N=C(c1ccccc1)/C)Nc1ccccc1
• Title of publication: 4-Phenyl-1-(1-phenylethylidene)thiosemicarbazide
• Authors of publication: Fangfang Jian; Ying Li; Hailian Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2219 - o2220
• a: 5.925 ± 0.0012 Å
• b: 10.514 ± 0.002 Å
• c: 11.567 ± 0.002 Å
• α: 103.54 ± 0.03°
• β: 91.1 ± 0.03°
• γ: 90.19 ± 0.03°
• Cell volume: 700.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1717
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes