Information card for entry 2001746

Structure parameters

• Chemical name: 2-(2'-Thienyl)pyridine
• Formula: C9 H7 N S
• Calculated formula: C9 H7 N S
• SMILES: c1ccc(nc1)c1cccs1
• Title of publication: Structure of 2-(2'-thienyl)pyridine at 193 K
• Authors of publication: Ghosh, R.; Simonsen, S. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1031 - 1032
• a: 5.769 ± 0.003 Å
• b: 8.793 ± 0.003 Å
• c: 15.695 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 796.2 ± 0.6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0499
• Goodness-of-fit parameter for all reflections: 1.9195
• Goodness-of-fit parameter for significantly intense reflections: 1.9613
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No