Information card for entry 2216045

Structure parameters

• Chemical name: N'-[1-(2-Thienyl)ethylidene]pyridine-2-carbohydrazide
• Formula: C12 H11 N3 O S
• Calculated formula: C12 H11 N3 O S
• SMILES: N(\N=C(/C)c1sccc1)C(=O)c1ncccc1
• Title of publication: <i>N</i>'-[1-(2-Thienyl)ethylidene]pyridine-2-carbohydrazide
• Authors of publication: Guodong Yao; Shizhu Sun; Dacheng Li; Daqi Wang; Jianmin Dou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4324 - o4324
• a: 12.162 ± 0.002 Å
• b: 9.8259 ± 0.0016 Å
• c: 10.2461 ± 0.0017 Å
• α: 90°
• β: 104.857 ± 0.002°
• γ: 90°
• Cell volume: 1183.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes