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Information card for entry 2240848
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| Coordinates | 2240848.cif |
|---|---|
| Structure factors | 2240848.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-(1-Benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol |
|---|---|
| Formula | C18 H15 N O3 |
| Calculated formula | C18 H15 N O3 |
| SMILES | O1N=C(c2ccc(cc2)C)CC1(O)c1oc2c(c1)cccc2 |
| Title of publication | Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol |
| Authors of publication | Ravi, A. J.; Vinayaka, A. C.; Jeyaseelan, S.; Sadashiva, M. P.; Devarajegowda, H. C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o492 - o493 |
| a | 10.22 ± 0.0015 Å |
| b | 14.2289 ± 0.0019 Å |
| c | 10.2474 ± 0.0015 Å |
| α | 90° |
| β | 93.058 ± 0.007° |
| γ | 90° |
| Cell volume | 1488 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240848.cif 2240848.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240848.cif 2240848.hkl |
| 139442 | 2015-06-20 | cif/ hkl/ Adding structures of 2240848 via cif-deposit CGI script. |
2240848.cif 2240848.hkl |
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Users of the data should acknowledge the original authors of the
structural data.