Information card for entry 2101115
| Formula |
C12 H16 Br N5 O S |
| Calculated formula |
C12 H16 Br N7 O2 S2 |
| Title of publication |
Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists |
| Authors of publication |
Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. |
| Journal of publication |
Acta Crystallographica Section B |
| Year of publication |
1994 |
| Journal volume |
50 |
| Journal issue |
2 |
| Pages of publication |
221 - 243 |
| a |
14.295 ± 0.002 Å |
| b |
12.447 ± 0.002 Å |
| c |
9.917 ± 0.002 Å |
| α |
95.77 ± 0.02° |
| β |
113.86 ± 0.02° |
| γ |
106.91 ± 0.01° |
| Cell volume |
1495.2 ± 0.6 Å3 |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2101115.html
