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Information card for entry 6000289
Preview
| Coordinates | 6000289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H11 N3 O3 |
|---|---|
| Title of publication | Crystal pseudopolymorphism of secnidazole bulk drug, C7H11N3O3 |
| Authors of publication | De Armas, H. N.; Hernandez, R. G.; Rivera, A. B.; Hernandez, R. P.; Martinez, I. H. |
| Journal of publication | Powder Diffraction |
| Year of publication | 1999 |
| Journal volume | 14 |
| Pages of publication | 136 - 141 |
| a | 12.426 ± 0.002 Å |
| b | 12.173 ± 0.002 Å |
| c | 6.656 ± 0.001 Å |
| α | 90° |
| β | 100.19 ± 0.01° |
| γ | 90° |
| Cell volume | 991 ± 0.2 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203339 (current) | 2017-11-20 | cif/6/00/02/ Correcting the _cell_angle_beta data item value by changing it from '100.000' to '100.19(1)' and correcting the _cell_angle_gamma data item value by changing it from '19.000' to '90' in entry 6000289 after consulting the original publication. Updating space group information and adding the symmetry operation list. Adding the _cell_formula_units_Z data item. |
6000289.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000289.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
6000289.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
6000289.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000289.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
6000289.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000289.cif |
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Users of the data should acknowledge the original authors of the
structural data.