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Information card for entry 1546692
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| Coordinates | 1546692.cif |
|---|---|
| Structure factors | 1546692.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-[(<i>E</i>)-(3-Methylbenzylidene)amino]-6-(morpholin-4-yl)-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine |
|---|---|
| Formula | C23 H26 N6 O2 |
| Calculated formula | C23 H26 N6 O2 |
| SMILES | O(c1nc(N/N=C/c2cc(ccc2)C)cc(n1)N1CCOCC1)CCc1ncccc1 |
| Title of publication | Apilimod |
| Authors of publication | Morris, Patrick J.; Moore, Curtis; Thomas, Craig J. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | x170693 |
| a | 14.9353 ± 0.0005 Å |
| b | 15.0367 ± 0.0005 Å |
| c | 19.4231 ± 0.0007 Å |
| α | 90° |
| β | 98.13 ± 0.002° |
| γ | 90° |
| Cell volume | 4318.2 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546692.cif 1546692.hkl |
| 199286 | 2017-07-25 | cif/ hkl/ Adding structures of 1546692 via cif-deposit CGI script. |
1546692.cif 1546692.hkl |
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.