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Information card for entry 2228787
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| Coordinates | 2228787.cif |
|---|---|
| Structure factors | 2228787.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-(2-Chlorobenzylidene)-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)acetohydrazide |
|---|---|
| Formula | C20 H18 Cl N5 O3 S |
| Calculated formula | C20 H18 Cl N5 O3 S |
| SMILES | O=C(Cn1nc2c(c1C)N(C)S(=O)(=O)c1c2cccc1)N/N=C/c1ccccc1Cl |
| Title of publication | <i>N</i>'-(2-Chlorobenzylidene)-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)acetohydrazide |
| 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 | o218 - o219 |
| a | 11.4881 ± 0.0002 Å |
| b | 12.7518 ± 0.0003 Å |
| c | 15.569 ± 0.0004 Å |
| α | 71.2778 ± 0.0011° |
| β | 78.6837 ± 0.0013° |
| γ | 70.4911 ± 0.0012° |
| Cell volume | 2025.92 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2228787.cif 2228787.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. |
2228787.cif 2228787.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228787.cif 2228787.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. | 2228787.cif 2228787.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228787.cif 2228787.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228787.cif 2228787.hkl |
| 9942 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228787 via cif-deposit CGI script. |
2228787.cif |
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Users of the data should acknowledge the original authors of the
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