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Information card for entry 2240742
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| Coordinates | 2240742.cif |
|---|---|
| Structure factors | 2240742.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(3,4-Dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one |
|---|---|
| Formula | C16 H15 N O2 |
| Calculated formula | C16 H15 N O2 |
| SMILES | O1C(=O)c2ccccc2C1Nc1cc(c(cc1)C)C |
| Title of publication | Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one |
| Authors of publication | Salim, Muhammad; Tahir, Muhammad Nawaz; Shahid, Muhammad; Munawar, Munawar Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o413 |
| a | 7.3386 ± 0.0007 Å |
| b | 14.9133 ± 0.0011 Å |
| c | 24.3322 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2663 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240742.cif 2240742.hkl |
| 137006 | 2015-05-20 | cif/ hkl/ Adding structures of 2240742 via cif-deposit CGI script. |
2240742.cif 2240742.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.