Information card for entry 2235362

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Nitrobenzylidene)-4-phenylthiosemicarbazide
• Formula: C14 H12 N4 O2 S
• Calculated formula: C14 H12 N4 O2 S
• SMILES: c1(ccccc1/C=N/NC(=S)Nc1ccccc1)N(=O)=O
• Title of publication: (<i>E</i>)-1-(2-Nitrobenzylidene)-4-phenylthiosemicarbazide
• Authors of publication: Feizi, Samaneh; Rezayan, Ali Hossein; Sardari, Soroush; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2154
• a: 7.405 ± 0.0007 Å
• b: 8.4239 ± 0.0008 Å
• c: 12.2363 ± 0.001 Å
• α: 90.382 ± 0.007°
• β: 93.974 ± 0.007°
• γ: 110.004 ± 0.008°
• Cell volume: 715.14 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes