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Information card for entry 2018843
Preview
| Coordinates | 2018843.cif |
|---|---|
| Structure factors | 2018843.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | <i>N</i>-{4-[(<i>E</i>)-3-(4-Ethoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide |
|---|---|
| Formula | C23 H21 N O4 S |
| Calculated formula | C23 H21 N O4 S |
| SMILES | S(=O)(=O)(Nc1ccc(C(=O)/C=C/c2ccc(OCC)cc2)cc1)c1ccccc1 |
| Title of publication | An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids |
| Authors of publication | de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | 267 - 272 |
| a | 8.4506 ± 0.0002 Å |
| b | 20.1587 ± 0.0006 Å |
| c | 14.212 ± 0.0003 Å |
| α | 90° |
| β | 119.098 ± 0.002° |
| γ | 90° |
| Cell volume | 2115.49 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018843.cif 2018843.hkl |
| 201957 | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018843.cif 2018843.hkl |
| 180857 | 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 2/01/88. |
2018843.cif 2018843.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018843.cif 2018843.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. |
2018843.cif 2018843.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018843.cif 2018843.hkl |
| 78874 | 2013-04-02 | cif/ Adding structures of 2018842, 2018843 via cif-deposit CGI script. |
2018843.cif |
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Users of the data should acknowledge the original authors of the
structural data.