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Information card for entry 7155191
Preview
| Coordinates | 7155191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Z)-5-(2,3-dimethoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one |
|---|---|
| Formula | C17 H20 N2 O3 S |
| Calculated formula | C17 H20 N2 O3 S |
| SMILES | S1\C(=C/c2c(OC)c(OC)ccc2)C(=O)N=C1N1CCCCC1 |
| Title of publication | Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent. |
| Authors of publication | Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 34 |
| Pages of publication | 8053 - 8063 |
| a | 6.9066 ± 0.0006 Å |
| b | 10.3537 ± 0.001 Å |
| c | 12.5514 ± 0.0013 Å |
| α | 96.955 ± 0.004° |
| β | 103.338 ± 0.003° |
| γ | 100.576 ± 0.003° |
| Cell volume | 845.87 ± 0.14 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186485 (current) | 2016-09-10 | cif/ Updating files of 7155183, 7155184, 7155185, 7155186, 7155187, 7155188, 7155189, 7155190, 7155191, 7155192, 7155193 Original log message: Adding full bibliography for 7155183--7155193.cif. |
7155191.cif |
| 184144 | 2016-07-02 | cif/ Adding structures of 7155183, 7155184, 7155185, 7155186, 7155187, 7155188, 7155189, 7155190, 7155191, 7155192, 7155193 via cif-deposit CGI script. |
7155191.cif |
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Users of the data should acknowledge the original authors of the
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