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Information card for entry 7155192
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| Coordinates | 7155192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Z)-5-(benzo[d][1,3]dioxol-4-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one |
|---|---|
| Formula | C16 H16 N2 O3 S |
| Calculated formula | C16 H16 N2 O3 S |
| SMILES | S1C(=NC(=O)/C1=C/c1ccc2OCOc2c1)N1CCCCC1 |
| 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 | 8.3333 ± 0.0006 Å |
| b | 16.8148 ± 0.0012 Å |
| c | 10.7927 ± 0.0008 Å |
| α | 90° |
| β | 103.96 ± 0.002° |
| γ | 90° |
| Cell volume | 1467.64 ± 0.18 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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. |
7155192.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. |
7155192.cif |
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Users of the data should acknowledge the original authors of the
structural data.