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Information card for entry 2238240
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| Coordinates | 2238240.cif |
|---|---|
| Structure factors | 2238240.hkl |
| Original IUCr paper | HTML |
| Common name | (<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one |
|---|---|
| Chemical name | (<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one |
| Formula | C13 H11 N O S |
| Calculated formula | C13 H11 N O S |
| SMILES | O=C(c1ccccc1N)/C=C/c1cccs1 |
| Title of publication | (<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one |
| Authors of publication | Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1004 - o1005 |
| a | 24.9335 ± 0.0004 Å |
| b | 5.0278 ± 0.0001 Å |
| c | 18.6813 ± 0.0003 Å |
| α | 90° |
| β | 111.151 ± 0.001° |
| γ | 90° |
| Cell volume | 2184.13 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0905 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (current) | 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 2/23/82. |
2238240.cif 2238240.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. |
2238240.cif 2238240.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238240.cif 2238240.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238240.cif 2238240.hkl |
| 87495 | 2013-08-27 | cif/ Adding structures of 2238240 via cif-deposit CGI script. |
2238240.cif |
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Users of the data should acknowledge the original authors of the
structural data.