Information card for entry 1542509

Structure parameters

• Chemical name: (5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate
• Formula: C17 H19 N O3 S2
• Calculated formula: C17 H19 N O3 S2
• SMILES: S(Cc1cc(=O)oc2c1c(cc(c2)C)C)C(=S)N1CCOCC1
• Title of publication: (5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate
• Authors of publication: Anitha, B. R.; Roopashree, K. R.; Kumar, K. Mahesh; Ravi, A. J.; Devarajegowda, H. C.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 2
• Pages of publication: x160169
• a: 6.9573 ± 0.0002 Å
• b: 7.9838 ± 0.0002 Å
• c: 15.6037 ± 0.0004 Å
• α: 75.485 ± 0.002°
• β: 87.122 ± 0.001°
• γ: 75.763 ± 0.001°
• Cell volume: 813.22 ± 0.04 ų
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes