Information card for entry 8107634

Structure parameters

• Common name: 3,5-diaza-methyl-2-methyl-6-oxo-6-phenyl-4-thioxohexanoate
• Formula: C12 H14 N2 O3 S
• Calculated formula: C12 H14 N2 O3 S
• Title of publication: Crystal structure of 3,5-diaza-methyl-2-methyl-6-oxo-6-phenyl-4- thioxohexanoate, at 200 K, C12H14N2O3S
• Authors of publication: Odame, Felix; Hosten, Eric C.; Tshentu, Zenixole R.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 1
• Pages of publication: 9 - 10
• a: 7.4237 ± 0.0004 Å
• b: 8.7173 ± 0.0005 Å
• c: 11.3227 ± 0.0006 Å
• α: 73.411 ± 0.002°
• β: 72.173 ± 0.003°
• γ: 68.967 ± 0.003°
• Cell volume: 638.24 ± 0.06 ų
• Ambient diffraction temperature: 200 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 significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1158
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No