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Information card for entry 2019767
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| Coordinates | 2019767.cif |
|---|---|
| Structure factors | 2019767.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Bromo-1-phenylindolin-2-one |
|---|---|
| Formula | C14 H10 Br N O |
| Calculated formula | C14 H10 Br N O |
| SMILES | Brc1ccc2N(c3ccccc3)C(=O)Cc2c1 |
| Title of publication | Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries |
| Authors of publication | Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| a | 3.9581 ± 0.0001 Å |
| b | 21.574 ± 0.0007 Å |
| c | 13.2045 ± 0.0004 Å |
| α | 90° |
| β | 95.287 ± 0.002° |
| γ | 90° |
| Cell volume | 1122.76 ± 0.06 Å3 |
| Cell temperature | 135 ± 2 K |
| Ambient diffraction temperature | 135 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019767.cif 2019767.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019767.cif 2019767.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019767.cif 2019767.hkl |
| 128701 | 2014-12-14 | cif/ hkl/ Adding structures of 2019766, 2019767, 2019768 via cif-deposit CGI script. |
2019767.cif 2019767.hkl |
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Users of the data should acknowledge the original authors of the
structural data.