Information card for entry 7112728
| Formula |
C25 H24 N2 O5 S2 |
| Calculated formula |
C25 H24 N2 O5 S2 |
| SMILES |
c1(cc2c(cc(c(c2)C)C(=O)c2ccccc2)n1S(=O)(=O)C)c1cc(ccc1NS(=O)(=O)C)C |
| Title of publication |
A new route to indoles via in situ desilylation–Sonogashira strategy: identification of novel small molecules as potential anti-tuberculosis agents |
| Authors of publication |
Nakhi, Ali; Prasad, Bagineni; Reddy, Uppender; Rao, Raja Mohan; Sandra, Sandhya; Kapavarapu, Ravikumar; Rambabu, D.; Rama Krishna, G.; Reddy, C. Malla; Ravada, Kishore; Misra, Parimal; Iqbal, Javed; Pal, Manojit |
| Journal of publication |
MedChemComm |
| Year of publication |
2011 |
| Journal volume |
2 |
| Journal issue |
10 |
| Pages of publication |
1006 |
| a |
8.2712 ± 0.0004 Å |
| b |
12.0103 ± 0.0006 Å |
| c |
13.3107 ± 0.0006 Å |
| α |
98.59 ± 0.004° |
| β |
91.371 ± 0.004° |
| γ |
108.406 ± 0.004° |
| Cell volume |
1237 ± 0.11 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0531 |
| Residual factor for significantly intense reflections |
0.0429 |
| Weighted residual factors for significantly intense reflections |
0.1053 |
| Weighted residual factors for all reflections included in the refinement |
0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.061 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7112728.html
