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Information card for entry 1554059
Preview
| Coordinates | 1554059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | morpholinopyridinylurea |
|---|---|
| Chemical name | 1-(morpholino(pyridin-4-yl)methyl)urea |
| Formula | C11 H16 N4 O2 |
| Calculated formula | C11 H16 N4 O2 |
| SMILES | C1N(CCOC1)C(c1ccncc1)NC(=O)N |
| Title of publication | Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl |
| Authors of publication | Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2015 |
| Journal volume | 119 |
| Journal issue | 38 |
| Pages of publication | 22025 |
| a | 12.2079 ± 0.0011 Å |
| b | 34.449 ± 0.003 Å |
| c | 11.8236 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4972.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1677 |
| Weighted residual factors for all reflections included in the refinement | 0.1969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.818 |
| Diffraction radiation probe | x-ray |
| 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. |
1554059.cif |
| 236514 | 2019-11-24 | cif/ Adding structures of 1554059 via cif-deposit CGI script. |
1554059.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.