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CIF Information Card
Information card for 2015371
2015370 << 2015371 >> 2015372Preview
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Coordinates |
2015371.cif |
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Structure factors |
2015371.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 1-[4-(4-oxo-1,4-dihydro-1-pyridyl)phenyl]pyridin-4(1H)-one--terephthalic acid |
| Formula | - C24 H18 N2 O6 - |
| Calculated formula | - C24 H18 N2 O6 - |
| Title of publication | Hydrogen-bonded 1:1 adduct of 1-[4-(4-oxo-1,4-dihydro-1-pyridyl)phenyl]pyridin-4(1<i>H</i>)-one with terephthalic acid |
| Authors of publication | Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o336 - o338 |
| a | 6.0931 ± 0.0002 Å |
| b | 10.2759 ± 0.0003 Å |
| c | 15.2973 ± 0.0005 Å |
| α | 90° |
| β | 92.148 ± 0.001° |
| γ | 90° |
| Cell volume | 957.12 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.048 |
| Residual factor for observed reflections | 0.041 |
| Weighted residual factors for the observed reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for observed reflections | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |