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Information card for entry 8101525
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| Coordinates | 8101525.cif |
|---|
| Formula | C17 H14 Cl N3 O2 S |
|---|---|
| Calculated formula | C17 H14 Cl N3 O2 S |
| SMILES | Clc1c(/C=C/c2n(c3c(n2)cccc3)CSC)cc(N(=O)=O)cc1 |
| Title of publication | Crystal structure of (E)-2-(2-chloro-5-nitrostyryl)-1-(methylthio) methylbenzimidazole, C~17~H~14~ClN~3~O~2~S |
| Authors of publication | Perazza, Maribelliz; Rivera, Luis A.; Cordero, Marisol; Huang, Songping D. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 3 |
| Pages of publication | 389 - 390 |
| a | 9.354 ± 0.004 Å |
| b | 10.099 ± 0.004 Å |
| c | 10.774 ± 0.002 Å |
| α | 74.92 ± 0.02° |
| β | 64.51 ± 0.02° |
| γ | 64.31 ± 0.03° |
| Cell volume | 824.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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