Information card for entry 2013031

Structure parameters

• Common name: 3,6-Bis(thiophen-2-yl)pyridazine
• Chemical name: 3,6-Bis(thiophen-2-yl)pyridazine
• Formula: C12 H8 N2 S2
• Calculated formula: C12 H8 N2 S2
• SMILES: n1nc(ccc1c1sccc1)c1sccc1
• Title of publication: 3,6-Di(thiophen-2-yl)pyridazine
• Authors of publication: Ackers, Brian; Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o640 - o641
• a: 5.6862 ± 0.0004 Å
• b: 13.0264 ± 0.0008 Å
• c: 15.563 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1152.76 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.036
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes