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Information card for entry 2100221
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| Coordinates | 2100221.cif |
|---|---|
| External links | ChemSpider |
| Common name | alpha-NTO |
|---|---|
| Formula | C2 H2 N4 O3 |
| Calculated formula | C2 H2 N4 O3 |
| SMILES | N1NC(=O)NC=1N(=O)=O |
| Authors of publication | Bolotina, Nadezhda B.; Kirschbaum, Kristin; Pinkerton, A.Alan |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | 577 - 584 |
| a | 5.1233 ± 0.0008 Å |
| b | 10.314 ± 0.0016 Å |
| c | 17.998 ± 0.003 Å |
| α | 106.61 ± 0.002° |
| β | 97.81 ± 0.002° |
| γ | 90.13 ± 0.002° |
| Cell volume | 902.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201972 (current) | 2017-10-13 | cif/ Marking COD entries in range 2/10 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2100221.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2100221.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2100221.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. |
2100221.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
2100221.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2100221.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
2100221.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
2100221.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.