Information card for entry 7236008

Structure parameters

• Common name: 3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione
• Chemical name: 3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione
• Formula: C9 H8 F N O S2
• Calculated formula: C9 H8 F N O S2
• Title of publication: A solvent- and catalyst-free domino reaction for the efficient synthesis of 3-arylthiazolidine-2-thiones under microwave irradiation
• Authors of publication: Kumar, Sundaravel Vivek; Muthusubramanian, Shanmugam; Perumal, Subbu
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 110
• Pages of publication: 90451
• a: 6.6494 ± 0.0002 Å
• b: 9.5276 ± 0.0004 Å
• c: 32.1006 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2033.66 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No