Information card for entry 7010271

Structure parameters

• Chemical name: N,N-diethyl-N'-(-)-(1R)-menthyloxycarbonylthiourea
• Formula: C16 H30 N2 O2 S
• Calculated formula: C16 H30 N2 O2 S
• SMILES: S=C(NC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)N(CC)CC
• Title of publication: Synthesis, characterisation and coordination chemistry of novel chiral N,N-dialkyl-N '-menthyloxycarbonylthioureas. Crystal and molecular structures of N,N-diethyl-N '-(−)-(3R)-menthyloxycarbonylthiourea and cis-(S,S)-[Pt(L)Cl(DMSO)] [where HL = N-(+)-(3R)-menthyloxycarbonyl-N'-morpholinothiourea or N-benzoyl-N',N'-diethylthiourea]
• Authors of publication: Sacht, Cheryl; Datt, Michael S.; Otto, Stefanus; Roodt, Andreas
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4579
• a: 8.889 ± 0.001 Å
• b: 13.207 ± 0.001 Å
• c: 16.911 ± 0.001 Å
• α: 90°
• β: 100.51 ± 0.01°
• γ: 90°
• Cell volume: 1952 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No