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Information card for entry 7214947
Preview
Coordinates | 7214947.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Form 1 of 1:1 nicotinamide and pimelic acid |
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Chemical name | Form 1 of 1:1 nicotinamide and pimelic acid |
Formula | C13 H18 N2 O5 |
Calculated formula | C13 H18 N2 O5 |
SMILES | OC(=O)CCCCCC(=O)O.n1cc(C(=O)N)ccc1 |
Title of publication | Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid |
Authors of publication | Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H. |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 23 |
Pages of publication | 8193 |
a | 5.4242 ± 0.0011 Å |
b | 7.3161 ± 0.0015 Å |
c | 17.917 ± 0.004 Å |
α | 99.69 ± 0.03° |
β | 94.01 ± 0.03° |
γ | 103.93 ± 0.03° |
Cell volume | 675.7 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0609 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1504 |
Weighted residual factors for all reflections included in the refinement | 0.156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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