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Information card for entry 2228786
Preview
| Coordinates | 2228786.cif |
|---|---|
| Structure factors | 2228786.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3- methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate |
|---|---|
| Formula | C22.5 H24.5 N5.5 O4.5 S |
| Calculated formula | C22.5 H24.5 N5.5 O4.5 S |
| Title of publication | 2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3-methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate |
| Authors of publication | Ahmad, Matloob; Siddiqui, Hamid Latif; Khattak, Manzoor Iqbal; Ahmad, Saeed; Parvez, Masood |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o216 - o217 |
| a | 18.3806 ± 0.0005 Å |
| b | 8.1155 ± 0.0002 Å |
| c | 30.4715 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4545.37 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0975 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181208 (current) | 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 2/22/87. |
2228786.cif 2228786.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. |
2228786.cif 2228786.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228786.cif 2228786.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. | 2228786.cif 2228786.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228786.cif 2228786.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228786.cif 2228786.hkl |
| 9940 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228786 via cif-deposit CGI script. |
2228786.cif |
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Users of the data should acknowledge the original authors of the
structural data.