Information card for entry 2011795

Structure parameters

• Chemical name: 3,3'-(1,2-Ethynediyl)bis-2(1H)-pyridinone (I) and 6,6'-(1,2-Ethynediyl)bis-2(1H)-pyridinone
• Formula: C12.66667 H10.66667 N2 O2.66667
• Calculated formula: C12.6667 H10.6667 N2 O2.66667
• SMILES: c1(=O)[nH]c(ccc1)C#Cc1cccc(=O)[nH]1.CO
• Title of publication: A hydrogen-bonded `trimer' of two symmetric dipyridones
• Authors of publication: Maverick, Emily F.; Wash, Paul L.; Lightner, David A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 284 - 285
• a: 7.334 ± 0.004 Å
• b: 10.791 ± 0.006 Å
• c: 11.543 ± 0.007 Å
• α: 69.7 ± 0.02°
• β: 75.01 ± 0.02°
• γ: 86.653 ± 0.015°
• Cell volume: 827.1 ± 0.8 ų
• Cell temperature: 156 K
• Ambient diffraction temperature: 156 ± 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: 0.134
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No