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CIF Information Card
Information card for 7205993
7205992 << 7205993 >> 7205994Preview
|
Coordinates |
7205993.cif |
Structure parameters
| Chemical name | Isonicotinamide:pimelic acid |
| Formula | - C13 H18 N2 O5 - |
| Calculated formula | - C13 H18 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 | 8.2223 ± 0.0005 Å |
| b | 5.1437 ± 0.0003 Å |
| c | 33.389 ± 0.002 Å |
| α | 90° |
| β | 93.873 ± 0.003° |
| γ | 90° |
| Cell volume | 1408.9 ± 0.15 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 | 0.0901 |
| Residual factor for observed reflections | 0.0557 |
| Weighted residual factors for the observed reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for observed reflections | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |