Information card for entry 7133901

Structure parameters

• Chemical name: '8-methoxy-3-phenyl-4,5-dihydronaphtho[2,1-d]thiazole-2(3H)-thione'
• Formula: C18 H15 N O S2
• Calculated formula: C18 H15 N O S2
• Title of publication: Room temperature dithiocarbamation of 2-tetralones with elemental sulfur and isothiocyanates S₈/R-NCS: atom-efficient access to 4-hydroxythiazolidine-2-thiones.
• Authors of publication: Nguyen, Le Anh; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 92
• Pages of publication: 13586 - 13589
• a: 11.1398 ± 0.001 Å
• b: 14.0582 ± 0.001 Å
• c: 10.5753 ± 0.0009 Å
• α: 90°
• β: 106.341 ± 0.009°
• γ: 90°
• Cell volume: 1589.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0354
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No