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Information card for entry 2228238
Preview
| Coordinates | 2228238.cif |
|---|---|
| Structure factors | 2228238.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | <i>N</i>-(4-chloropyridin-2-yl)-<i>N</i>-tosylacetamide |
|---|---|
| Chemical name | <i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide |
| Formula | C14 H13 Cl N2 O3 S |
| Calculated formula | C14 H13 Cl N2 O3 S |
| SMILES | Clc1cc(N(S(=O)(=O)c2ccc(cc2)C)C(=O)C)ncc1 |
| Title of publication | <i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide |
| Authors of publication | Bühler, Stefanie; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3320 |
| a | 12.578 ± 0.002 Å |
| b | 7.546 ± 0.0008 Å |
| c | 30.194 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2865.8 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228238.cif 2228238.hkl |
| 181203 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/82. |
2228238.cif 2228238.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228238.cif 2228238.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228238.cif 2228238.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228238.cif 2228238.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228238.cif 2228238.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228238.cif 2228238.hkl |
| 5766 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228232, 2228233, 2228234, 2228235, 2228236, 2228237, 2228238, 2228239, 2228240, 2228241 via cif-deposit CGI script. |
2228238.cif |
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Users of the data should acknowledge the original authors of the
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