Information card for entry 2210375

Structure parameters

• Chemical name: 4-(2-Hydroxybenzylideneamino)acetophenone thiosemicarbazone
• Formula: C16 H16 N4 O S
• Calculated formula: C16 H16 N4 O S
• SMILES: c1(ccccc1/C=N/c1ccc(cc1)C(=N\NC(=S)N)\C)O
• Title of publication: 4-(2-Hydroxybenzylideneamino)acetophenone thiosemicarbazone
• Authors of publication: Ying-Ying Liu; Jian-Fang Ma; Ji-Cheng Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3788 - o3789
• a: 5.582 ± 0.011 Å
• b: 23.835 ± 0.005 Å
• c: 11.773 ± 0.002 Å
• α: 90°
• β: 90.93 ± 0.03°
• γ: 90°
• Cell volume: 1566 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes