Information card for entry 2217915

Structure parameters

• Chemical name: N'-(3-Thienylmethylene)pyridine-2-carbohydrazide
• Formula: C11 H9 N3 O S
• Calculated formula: C11 H9 N3 O S
• SMILES: s1cc(cc1)C=NNC(=O)c1ncccc1
• Title of publication: <i>N</i>'-(3-Thienylmethylene)pyridine-2-carbohydrazide
• Authors of publication: Cheng, Haojin; Djukic, Brandon; Harrington, Laura E.; Britten, James F.; Lemaire, Martin T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o719
• a: 11.6817 ± 0.0003 Å
• b: 9.1454 ± 0.0003 Å
• c: 10.089 ± 0.0003 Å
• α: 90°
• β: 103.23 ± 0.001°
• γ: 90°
• Cell volume: 1049.24 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes