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Information card for entry 2237361
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| Coordinates | 2237361.cif |
|---|---|
| Structure factors | 2237361.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate monohydrate |
|---|---|
| Formula | C19 H23 N3 O6 S |
| Calculated formula | C19 H23 N3 O6 S |
| SMILES | c1(ccc2c(c1)nn(c2)CCC(=O)OCC)NS(=O)(=O)c1ccc(cc1)OC.O |
| Title of publication | Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate monohydrate |
| Authors of publication | Abbassi, Najat; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o190 - o191 |
| a | 9.0248 ± 0.0003 Å |
| b | 8.7602 ± 0.0003 Å |
| c | 13.1792 ± 0.0004 Å |
| α | 90° |
| β | 101.062 ± 0.002° |
| γ | 90° |
| Cell volume | 1022.58 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237361.cif 2237361.hkl |
| 181295 | 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 2/23/73. |
2237361.cif 2237361.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2237361.cif 2237361.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. | 2237361.cif 2237361.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237361.cif 2237361.hkl |
| 75377 | 2013-03-09 | cif/ Adding structures of 2237361 via cif-deposit CGI script. |
2237361.cif |
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