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Information card for entry 2239443
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| Coordinates | 2239443.cif |
|---|---|
| Structure factors | 2239443.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 3-[7-(<i>N</i>-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2<i>H</i>-indazol-2-yl]propionate |
|---|---|
| Formula | C21 H22 Cl N3 O6 S |
| Calculated formula | C21 H22 Cl N3 O6 S |
| SMILES | CCOC(=O)CCn1nc2c(c1Cl)cccc2N(S(=O)(=O)c1ccc(cc1)OC)C(=O)C |
| Title of publication | Ethyl 3-[7-(<i>N</i>-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2<i>H</i>-indazol-2-yl]propionate |
| Authors of publication | Kouakou, Assoman; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o307 - o308 |
| a | 9.1442 ± 0.0003 Å |
| b | 9.4376 ± 0.0004 Å |
| c | 14.0931 ± 0.0006 Å |
| α | 108.262 ± 0.002° |
| β | 96.017 ± 0.002° |
| γ | 103.313 ± 0.002° |
| Cell volume | 1103.13 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0685 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239443.cif 2239443.hkl |
| 181313 | 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 2/23/94. |
2239443.cif 2239443.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. |
2239443.cif 2239443.hkl |
| 110726 | 2014-04-19 | cif/ hkl/ Adding structures of 2239443 via cif-deposit CGI script. |
2239443.cif 2239443.hkl |
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