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Information card for entry 7207569
Preview
| Coordinates | 7207569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H18 N6 O6 |
|---|---|
| Calculated formula | C16 H18 N6 O6 |
| SMILES | C(=O)(c1ccncc1)NN.C(=O)(/C=C/C(=O)O)O.C(=O)(c1ccncc1)NN |
| Title of publication | Fast dissolving eutectic compositions of two anti-tubercular drugs |
| Authors of publication | Cherukuvada, Suryanarayan; Nangia, Ashwini |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 2579 |
| a | 8.1339 ± 0.0003 Å |
| b | 8.7424 ± 0.0004 Å |
| c | 12.4779 ± 0.0005 Å |
| α | 90° |
| β | 96.933 ± 0.004° |
| γ | 90° |
| Cell volume | 880.81 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207569.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207569.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207569.cif |
| 52039 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207568, 7207569, 7207570, 7207571, 7207572 via cif-deposit CGI script. |
7207569.cif |
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Users of the data should acknowledge the original authors of the
structural data.