Information card for entry 2300206
| Chemical name |
6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide |
| Formula |
C7 H6 Cl N3 O4 S2 |
| Calculated formula |
C7 H6 Cl N3 O4 S2 |
| SMILES |
Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N |
| Title of publication |
A differential thermal expansion approach to crystal structure determination from powder diffraction data |
| Authors of publication |
Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K. |
| Journal of publication |
Journal of Applied Crystallography |
| Year of publication |
2008 |
| Journal volume |
41 |
| Journal issue |
6 |
| Pages of publication |
1089 - 1094 |
| a |
4.8707 ± 0.0009 Å |
| b |
6.3951 ± 0.0012 Å |
| c |
8.9448 ± 0.0016 Å |
| α |
74.368 ± 0.016° |
| β |
83.786 ± 0.014° |
| γ |
80.459 ± 0.015° |
| Cell volume |
264.01 ± 0.09 Å3 |
| Number of distinct elements |
6 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2300206.html
