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Information card for entry 2232022
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| Coordinates | 2232022.cif |
|---|---|
| Structure factors | 2232022.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>'-(phenylsulfonyl)carbamimidic azide |
|---|---|
| Chemical name | 1-azido-<i>N</i>'-(phenylsulfonyl)methanimidamide |
| Formula | C7 H7 N5 O2 S |
| Calculated formula | C7 H7 N5 O2 S |
| SMILES | S(=O)(=O)(/N=C(N=N#N)\N)c1ccccc1 |
| Title of publication | 1-Azido-<i>N</i>'-(phenylsulfonyl)methanimidamide |
| Authors of publication | Khan, Islam Ullah; Mahmood, Ayyaz; Arshad, Muhammad Nadeem; Shahzad, Sohail Anjum |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2703 |
| a | 7.0399 ± 0.0002 Å |
| b | 7.1714 ± 0.0002 Å |
| c | 10.367 ± 0.0003 Å |
| α | 90.267 ± 0.001° |
| β | 98.997 ± 0.001° |
| γ | 110.358 ± 0.001° |
| Cell volume | 483.67 ± 0.02 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/20. |
2232022.cif 2232022.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232022.cif 2232022.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232022.cif 2232022.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. | 2232022.cif 2232022.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232022.cif 2232022.hkl |
| 29311 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232022 via cif-deposit CGI script. |
2232022.cif |
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Users of the data should acknowledge the original authors of the
structural data.