Information card for entry 2235293

Structure parameters

• Chemical name: (5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethyldithiocarbamate
• Formula: C17 H21 N O2 S2
• Calculated formula: C17 H21 N O2 S2
• SMILES: S(Cc1c2c(cc(cc2oc(=O)c1)C)C)C(=S)N(CC)CC
• Title of publication: (5,7-Dimethyl-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethyldithiocarbamate
• Authors of publication: Kumar, K. Mahesh; Devarajegowda, H. C.; Jeyaseelan, S.; Mahabaleshwaraiah, N. M.; Kotresh, O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1657
• a: 7.857 ± 0.0002 Å
• b: 23.7745 ± 0.0005 Å
• c: 9.7684 ± 0.0002 Å
• α: 90°
• β: 109.483 ± 0.001°
• γ: 90°
• Cell volume: 1720.22 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes