Information card for entry 2227729

Structure parameters

• Chemical name: 2,5-pyridinediylbis(2-pyridinyl)methanone
• Formula: C17 H11 N3 O2
• Calculated formula: C17 H11 N3 O2
• Title of publication: (2-Pyridyl)[5-(2-pyridylcarbonyl)-2-pyridyl]methanone
• Authors of publication: Qiang, Hong; Zhang, Fan; Wang, Zi-jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2632
• a: 3.8453 ± 0.0013 Å
• b: 8.447 ± 0.003 Å
• c: 11.202 ± 0.003 Å
• α: 108.672 ± 0.006°
• β: 97.251 ± 0.006°
• γ: 99.772 ± 0.006°
• Cell volume: 333.29 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes