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Information card for entry 2239014
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| Coordinates | 2239014.cif |
|---|---|
| Structure factors | 2239014.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Chlorophenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one |
|---|---|
| Formula | C15 H12 Cl N O |
| Calculated formula | C15 H12 Cl N O |
| SMILES | c12ccccc1C(=O)CC(c1ccc(cc1)Cl)N2 |
| Title of publication | 2-(4-Chlorophenyl)-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 | o202 - o203 |
| a | 17.703 ± 0.002 Å |
| b | 10.7537 ± 0.0017 Å |
| c | 13.658 ± 0.002 Å |
| α | 90° |
| β | 105.486 ± 0.006° |
| γ | 90° |
| Cell volume | 2505.7 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239014.cif 2239014.hkl |
| 181309 | 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 2/23/90. |
2239014.cif 2239014.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. |
2239014.cif 2239014.hkl |
| 104846 | 2014-03-11 | cif/ hkl/ Adding structures of 2239014 via cif-deposit CGI script. |
2239014.cif 2239014.hkl |
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Users of the data should acknowledge the original authors of the
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