Information card for entry 2201593

Structure parameters

• Chemical name: 2-(p-Methoxyphenyl)-3-[o-(methylaminothiocarbonyl)phenyl]-1,3,2- oxazaphospholidine 2-sulfide
• Formula: C17 H19 N2 O2 P S2
• Calculated formula: C17 H19 N2 O2 P S2
• SMILES: P1(=S)(OCCN1c1ccccc1C(=S)NC)c1ccc(OC)cc1
• Title of publication: 2-(<i>p</i>-Methoxyphenyl)-3-[<i>o</i>-(methylaminothiocarbonyl)phenyl]-1,3,2-oxazaphospholidine 2-sulfide
• Authors of publication: Sheng-Lou Deng; Dong-Zhi Liu; Wei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1430 - o1431
• a: 9.905 ± 0.003 Å
• b: 19.091 ± 0.005 Å
• c: 20.384 ± 0.005 Å
• α: 90°
• β: 99.18 ± 0.005°
• γ: 90°
• Cell volume: 3805.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes