Information card for entry 2009806

Structure parameters

• Formula: C20 H23 N O2 S
• Calculated formula: C20 H23 N O2 S
• SMILES: O1C(CCc2c(c(c(c(c12)C)C)O)C)(C(=S)Nc1ccccc1)C
• Title of publication: Structure du <i>N</i>-phényltroloxamide et du <i>N</i>-phényltroloxthioamide, inhibiteurs de leucotriènes
• Authors of publication: Rodier, N.; Cense, J.-M.; Babingui, J.-F.; Courant, J.; Le Baut, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 960 - 963
• a: 8.304 ± 0.002 Å
• b: 8.836 ± 0.002 Å
• c: 14.248 ± 0.003 Å
• α: 93.21 ± 0.02°
• β: 116.01 ± 0.02°
• γ: 106.54 ± 0.02°
• Cell volume: 880.6 ± 0.4 ų
• Cell temperature: 292 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: 0.04
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.65
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No