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Information card for entry 2018131
Preview
| Coordinates | 2018131.cif |
|---|---|
| Structure factors | 2018131.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | methyl 1-methyl-2-(pyrazin-2-ylcarbonyl)hydrazinecarbodithioate |
|---|---|
| Formula | C8 H10 N4 O S2 |
| Calculated formula | C8 H10 N4 O S2 |
| SMILES | C(=S)(N(C)NC(=O)c1cnccn1)SC |
| Title of publication | Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. III. Mono- and diesters of 3-(pyrazin-2-ylcarbonyl)dithiocarbazic acid |
| Authors of publication | Szczesio, Małgorzata; Olczak, Andrzej; Gołka, Jolanta; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | o235 - o240 |
| a | 4.09 ± 0.0004 Å |
| b | 6.4482 ± 0.0006 Å |
| c | 20.7828 ± 0.0019 Å |
| α | 90° |
| β | 91.151 ± 0.002° |
| γ | 90° |
| Cell volume | 548 ± 0.09 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018131.cif 2018131.hkl |
| 180850 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018131.cif 2018131.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018131.cif 2018131.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018131.cif 2018131.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. | 2018131.cif 2018131.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018131.cif 2018131.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2018131.cif 2018131.hkl |
| 22949 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018128, 2018129, 2018130, 2018131 via cif-deposit CGI script. |
2018131.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.