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Information card for entry 1551720
Preview
| Coordinates | 1551720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione |
|---|---|
| Formula | C16 H15 N O4 |
| Calculated formula | C16 H15 N O4 |
| SMILES | o1c(=O)cc(c2ccc(c(c12)C)C)CN1C(=O)CCC1=O |
| Title of publication | Crystal Structure of 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione |
| Authors of publication | R., MARULASIDDAIAH; KULKARNI, Manohar V.; SHARMA, Deepak; GUPTA, Vivek K. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 41 |
| a | 7.309 ± 0.002 Å |
| b | 9.677 ± 0.003 Å |
| c | 9.746 ± 0.003 Å |
| α | 91.096 ± 0.005° |
| β | 100.682 ± 0.005° |
| γ | 102.191 ± 0.005° |
| Cell volume | 660.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551720.cif |
| 216332 | 2019-06-20 | cif/ Adding structures of 1551720 via cif-deposit CGI script. |
1551720.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.