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Information card for entry 2200465
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| Coordinates | 2200465.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | N^6^-benzyladenine hydrobromide |
|---|---|
| Formula | C12 H12 Br N5 |
| Calculated formula | C12 H12 Br N5 |
| SMILES | [Br-].n1c[nH+]c2nc[nH]c2c1NCc1ccccc1 |
| Title of publication | <i>N</i>^6^-Benzyladenine hydrobromide and the solid-state conformation of cytokinins |
| Authors of publication | Umadevi, Balakrishnan; Stanley, Nithianantham; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Cantoni, Andrea |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | o881 - o883 |
| a | 18.581 ± 0.003 Å |
| b | 5.163 ± 0.002 Å |
| c | 13.344 ± 0.003 Å |
| α | 90° |
| β | 93.71 ± 0.02° |
| γ | 90° |
| Cell volume | 1277.5 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for all reflections included in the refinement | 0.1732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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