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Information card for entry 7221678
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Coordinates | 7221678.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-((4,5-dihydrothiazol-2-ylthio)methyl)-7- methyl-2<i>H</i>-chromen-2-one |
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Formula | C14 H13 N O2 S2 |
Calculated formula | C14 H13 N O2 S2 |
SMILES | S(CC1c2ccc(C)cc2OC(=O)C=1)C1SCCN=1 |
Title of publication | A facile synthesis and evaluation of new biomolecule-based coumarin‒thiazoline hybrids as potent anti-tubercular agents with cytotoxicity, DNA cleavage and X-ray studies |
Authors of publication | Reddy, Dinesh S.; Hosamani, Kallappa M.; Devarajegowda, Hirihalli C.; Kurjogi, Mahantesh M. |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 79 |
Pages of publication | 64566 |
a | 7.8774 ± 0.0002 Å |
b | 8.4986 ± 0.0003 Å |
c | 11.233 ± 0.0003 Å |
α | 91.435 ± 0.002° |
β | 107.376 ± 0.002° |
γ | 107.927 ± 0.002° |
Cell volume | 677.16 ± 0.04 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0526 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1166 |
Weighted residual factors for all reflections included in the refinement | 0.1248 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7221678.html
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