Information card for entry 7221679

Structure parameters

• Chemical name: 4-((4,5-dihydrothiazol-2-ylthio)methyl)-5,7-dimethyl- 2<i>H</i>-chromen-2-one
• Formula: C15 H15 N O2 S2
• Calculated formula: C15 H15 N O2 S2
• SMILES: S(CC1c2c(cc(C)cc2OC(=O)C=1)C)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: 7.2356 ± 0.0008 Å
• b: 7.9426 ± 0.001 Å
• c: 25.027 ± 0.003 Å
• α: 90°
• β: 96.742 ± 0.008°
• γ: 90°
• Cell volume: 1428.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No