Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7205994
7205993 << 7205994 >> 7205995Preview
|
Coordinates |
7205994.cif |
Structure parameters
| Chemical name | Isonicotinamide:suberic acid |
| Formula | - C14 H20 N2 O5 - |
| Calculated formula | - C14 H20 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 | 8.9413 ± 0.0015 Å |
| b | 9.5366 ± 0.0013 Å |
| c | 10.1347 ± 0.0017 Å |
| α | 86.653 ± 0.011° |
| β | 66.031 ± 0.007° |
| γ | 66.571 ± 0.01° |
| Cell volume | 719.1 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1055 |
| Residual factor for observed reflections | 0.0724 |
| Weighted residual factors for the observed reflections | 0.1604 |
| Weighted residual factors for all reflections included in the refinement | 0.1837 |
| Goodness-of-fit parameter for observed reflections | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |