Information card for entry 2226223

Structure parameters

• Chemical name: <i>N</i>'-(4-Cyanobenzylidene)thiophene-2-carbohydrazide
• Formula: C13 H9 N3 O S
• Calculated formula: C13 H9 N3 O S
• SMILES: N(=C\c1ccc(cc1)C#N)/NC(=O)c1cccs1
• Title of publication: <i>N</i>'-(4-Cyanobenzylidene)thiophene-2-carbohydrazide
• Authors of publication: Li, Yu-Feng; Zhang, Fu-Gong; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1471
• a: 6.3966 ± 0.0013 Å
• b: 16.34 ± 0.003 Å
• c: 11.494 ± 0.002 Å
• α: 90°
• β: 90.66 ± 0.03°
• γ: 90°
• Cell volume: 1201.3 ± 0.4 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: 0.0991
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes