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CIF Information Card
Information card for 7205992
7205991 << 7205992 >> 7205993Preview
|
Coordinates |
7205992.cif |
Structure parameters
| Chemical name | Isonicotinamide:azelaic acid |
| Formula | - C15 H22 N2 O5 - |
| Calculated formula | - C15 H22 N2 O5 - |
| Title of publication | The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9 |
| Authors of publication | Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4188 |
| a | 8.2118 ± 0.0011 Å |
| b | 5.068 ± 0.0007 Å |
| c | 38.683 ± 0.005 Å |
| α | 90° |
| β | 93.264 ± 0.006° |
| γ | 90° |
| Cell volume | 1607.3 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 2/c 1 |
| Hall symmetry space group | -P 2yc |
| Residual factor for all reflections | 0.1217 |
| Residual factor for observed reflections | 0.088 |
| Weighted residual factors for the observed reflections | 0.1995 |
| Weighted residual factors for all reflections included in the refinement | 0.225 |
| Goodness-of-fit parameter for observed reflections | 1.185 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |