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Information card for entry 7216708
Preview
| Coordinates | 7216708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | salicylic acid:4,4'-bipyridine Form II |
|---|---|
| Formula | C24 H20 N2 O6 |
| Calculated formula | C24 H20 N2 O6 |
| SMILES | C(=O)(O)c1c(cccc1)O.c1cnccc1c1ccncc1.c1(c(cccc1)O)C(=O)O |
| Title of publication | Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine |
| Authors of publication | Tothadi, Srinu |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 32 |
| Pages of publication | 7587 |
| a | 9.92 ± 0.009 Å |
| b | 4.919 ± 0.004 Å |
| c | 23.046 ± 0.018 Å |
| α | 90° |
| β | 114.28 ± 0.03° |
| γ | 90° |
| Cell volume | 1025.1 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0696 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7216708.cif |
| 180498 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67. |
7216708.cif |
| 121626 | 2014-08-08 | cif/ Updating files of 7216705, 7216706, 7216707, 7216708 Original log message: Adding full bibliography for 7216705--7216708.cif. |
7216708.cif |
| 117975 | 2014-06-23 | cif/ Adding structures of 7216705, 7216706, 7216707, 7216708 via cif-deposit CGI script. |
7216708.cif |
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Users of the data should acknowledge the original authors of the
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