Information card for entry 2207824

Structure parameters

• Common name: 2-Formylpyridine N-(4)-phenylethylthiosemicarbazone
• Chemical name: N-Benzyl-2-(2-pyridylethylene)-1-hydrazinecarbothioamide
• Formula: C15 H16 N4 S
• Calculated formula: C15 H16 N4 S
• SMILES: S=C(N/N=C/c1ccccn1)NCCc1ccccc1
• Title of publication: Pyridine-2-carbaldehyde <i>N</i>^4^-phenethylthiosemicarbazone
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; P. F. Raphel; V. Suni; Maliyeckal R. Prathapachandra Kurup
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o125 - o127
• a: 6.7341 ± 0.0009 Å
• b: 8.9533 ± 0.0012 Å
• c: 24.003 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447.2 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes