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Information card for entry 2240390
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| Coordinates | 2240390.cif |
|---|---|
| Structure factors | 2240390.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-1-[4-({4-[(4-Methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one |
|---|---|
| Formula | C22 H19 N O2 S |
| Calculated formula | C22 H19 N O2 S |
| SMILES | S(c1ccc(/N=C/c2ccc(OC)cc2)cc1)c1ccc(cc1)C(=O)C |
| Title of publication | Crystal structure of (<i>E</i>)-1-[4-({4-[(4-methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one |
| Authors of publication | Hebbachi, Rabihe; Djedouani, Amel; Kadri, Soumia; Mousser, Hénia; Mousser, Abdelhamid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o109 - o110 |
| a | 5.7708 ± 0.0002 Å |
| b | 8.0867 ± 0.0003 Å |
| c | 19.6929 ± 0.0008 Å |
| α | 81.844 ± 0.002° |
| β | 86.664 ± 0.003° |
| γ | 85.662 ± 0.003° |
| Cell volume | 906.05 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240390.cif 2240390.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240390.cif 2240390.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240390.cif 2240390.hkl |
| 129662 | 2015-01-15 | cif/ hkl/ Adding structures of 2240390 via cif-deposit CGI script. |
2240390.cif 2240390.hkl |
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Users of the data should acknowledge the original authors of the
structural data.