Information card for entry 2240983

Structure parameters

• Chemical name: <i>S</i>-(4-Methylbenzyl) piperidinedithiocarbamate
• Formula: C14 H19 N S2
• Calculated formula: C14 H19 N S2
• SMILES: S(Cc1ccc(C)cc1)C(=S)N1CCCCC1
• Title of publication: Crystal structure of <i>S</i>-(4-methylbenzyl) piperidinedithiocarbamate
• Authors of publication: Rahima, Z. A.; Abdul Halim, Siti Nadiah; How, Fiona N.-F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o647
• a: 6.3081 ± 0.0004 Å
• b: 11.2191 ± 0.0007 Å
• c: 19.8399 ± 0.0013 Å
• α: 90°
• β: 96.133 ± 0.005°
• γ: 90°
• Cell volume: 1396.06 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.117
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes