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CIF Information Card
Information card for 2014627
2014626 << 2014627 >> 2014628Preview
|
Coordinates |
2014627.cif |
Structure parameters
| Common name | 4-bromoanilinium 5-sulfosalicylate monohydrate |
| Formula | - C13 H14 Br N O7 S - |
| Calculated formula | - C13 H14 Br N O7 S - |
| Title of publication | Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with the 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br) |
| Authors of publication | Graham Smith; Urs D. Wermuth; Jonathan M. White |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | o105 - o109 |
| a | 12.781 ± 0.0019 Å |
| b | 6.986 ± 0.001 Å |
| c | 35.454 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3165.6 ± 0.8 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |