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Information card for entry 2311121
Preview
| Coordinates | 2311121.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1-{(<i>Z</i>)-[(2,3-Dihydroxypropyl)amino]methylidene}naphthalen- 2(1<i>H</i>)-one |
|---|---|
| Formula | C14 H15 N O3 |
| Calculated formula | C14 H15 N O3 |
| Title of publication | 1-{(Z)-[(2,3-Dihy-droxy-prop-yl)amino]-methyl-idene}naphthalen-2(1H)-one. |
| Authors of publication | Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Remaily, Mahmoud A A El |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 1 |
| Pages of publication | o136 - 7 |
| a | 23.452 ± 0.016 Å |
| b | 5.809 ± 0.004 Å |
| c | 8.739 ± 0.006 Å |
| α | 90° |
| β | 96.445 ± 0.007° |
| γ | 90° |
| Cell volume | 1183 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0637 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1521 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311121.cif |
| 245593 | 2019-12-25 | cif/ Adding structures of 2311121 via cif-deposit CGI script. |
2311121.cif |
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Users of the data should acknowledge the original authors of the
structural data.