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Information card for entry 2238984
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| Coordinates | 2238984.cif |
|---|---|
| Structure factors | 2238984.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-<i>p</i>-Tolyl-2,3-dihydroquinolin-4(1<i>H</i>)-one |
|---|---|
| Formula | C16 H15 N O |
| Calculated formula | C16 H15 N O |
| SMILES | C1(c2ccc(C)cc2)CC(=O)c2ccccc2N1 |
| Title of publication | 2-<i>p</i>-Tolyl-2,3-dihydroquinolin-4(1<i>H</i>)-one |
| Authors of publication | Chelghoum, Meryem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bahnous, Mebarek; Belfaitah, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o214 - o215 |
| a | 17.6363 ± 0.0014 Å |
| b | 10.7968 ± 0.0009 Å |
| c | 13.6308 ± 0.0009 Å |
| α | 90° |
| β | 103.26 ± 0.003° |
| γ | 90° |
| Cell volume | 2526.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238984.cif 2238984.hkl |
| 181308 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/89. |
2238984.cif 2238984.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238984.cif 2238984.hkl |
| 104816 | 2014-03-11 | cif/ hkl/ Adding structures of 2238984 via cif-deposit CGI script. |
2238984.cif 2238984.hkl |
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Users of the data should acknowledge the original authors of the
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