Information card for entry 2015483

Structure parameters

• Chemical name: 2-Hydroxyacetophenone 4-phenylthiosemicarbazone
• Formula: C15 H15 N3 O S
• Calculated formula: C15 H15 N3 O S
• SMILES: S=C(N\N=C(c1c(O)cccc1)/C)Nc1ccccc1
• Title of publication: 2-Hydroxyacetophenone 4-phenylthiosemicarbazone
• Authors of publication: E. B. Seena; E. Manoj; M. R. Prathapachandra Kurup
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o486 - o488
• a: 16.858 ± 0.002 Å
• b: 7.449 ± 0.002 Å
• c: 23.312 ± 0.007 Å
• α: 90°
• β: 94.39 ± 0.015°
• γ: 90°
• Cell volume: 2918.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No