Information card for entry 7027118

Structure parameters

• Chemical name: 2-(dimethylthiophosphorylamino)-6-picoline
• Formula: C8 H13 N2 P S
• Calculated formula: C8 H13 N2 P S
• SMILES: S=P(Nc1nc(ccc1)C)(C)C
• Title of publication: Dimethylthiophosphoryl hydrazone ligands and their copper complexes: crystal structures and analysis of their solution complexation behaviour by electrospray mass spectrometry
• Authors of publication: Batsanov, Andrei S.; Churakov, Andrei V.; Easson, Morag A. M.; Govenlock, Linda J.; Howard, Judith A. K.; Moloney, Janet M.; Parker, David
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 323
• a: 11.415 ± 0.001 Å
• b: 8.348 ± 0.001 Å
• c: 11.983 ± 0.001 Å
• α: 90°
• β: 114.54 ± 0.01°
• γ: 90°
• Cell volume: 1038.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.0727
• Goodness-of-fit parameter for all reflections: 1.163
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No