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Information card for entry 7155294
Preview
| Coordinates | 7155294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (2-(2-Benzamidophenyl)-4,5-dihydrooxazol-5-yl)methyl acetate |
|---|---|
| Formula | C19 H18 N2 O4 |
| Calculated formula | C19 H18 N2 O4 |
| SMILES | c1(c(cccc1)NC(=O)c1ccccc1)C1=NCC(COC(=O)C)O1 |
| Title of publication | Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system. |
| Authors of publication | Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 42 |
| Pages of publication | 10074 - 10079 |
| a | 7.3604 ± 0.0004 Å |
| b | 9.3854 ± 0.0006 Å |
| c | 12.8395 ± 0.001 Å |
| α | 95.461 ± 0.004° |
| β | 101.655 ± 0.004° |
| γ | 105.055 ± 0.003° |
| Cell volume | 828.57 ± 0.1 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 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 | 0.1379 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1438 |
| Weighted residual factors for all reflections included in the refinement | 0.1703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155294.cif |
| 188308 | 2016-11-08 | cif/ Updating files of 7155293, 7155294 Original log message: Adding full bibliography for 7155293--7155294.cif. |
7155294.cif |
| 186926 | 2016-10-05 | cif/ Adding structures of 7155293, 7155294 via cif-deposit CGI script. |
7155294.cif |
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Users of the data should acknowledge the original authors of the
structural data.