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Information card for entry 2238442
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| Coordinates | 2238442.cif |
|---|---|
| Structure factors | 2238442.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(2-Allyl-4-chloro-2<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate |
|---|---|
| Formula | C17 H17 Cl N3 O3.5 S |
| Calculated formula | C17 H17 Cl N3 O3.5 S |
| SMILES | C=CCn1nc2c(c1)c(Cl)c(cc2)NS(=O)(=O)c1ccc(cc1)OC.O |
| Title of publication | <i>N</i>-(2-Allyl-4-chloro-2<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate |
| Authors of publication | Chicha, Hakima; Kouakou, Assoman; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1353 |
| a | 23.5515 ± 0.0009 Å |
| b | 8.9081 ± 0.0003 Å |
| c | 20.8278 ± 0.0008 Å |
| α | 90° |
| β | 122.628 ± 0.002° |
| γ | 90° |
| Cell volume | 3680.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (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 2/23/84. |
2238442.cif 2238442.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238442.cif 2238442.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238442.cif 2238442.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238442.cif 2238442.hkl |
| 88300 | 2013-09-04 | cif/ Adding structures of 2238442 via cif-deposit CGI script. |
2238442.cif |
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