Information card for entry 2004163

Structure parameters

• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: n1ccc(cc1)CCc1ccncc1
• Title of publication: 1,2-Bis(4-pyridyl)ethane
• Authors of publication: Ide, S.; Karacan, N.; Tufan, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2304 - 2305
• a: 5.561 ± 0.002 Å
• b: 8.159 ± 0.003 Å
• c: 11.353 ± 0.004 Å
• α: 90°
• β: 100.73 ± 0.04°
• γ: 90°
• Cell volume: 506.1 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No