Information card for entry 7248011

Structure parameters

• Formula: C14 H13 N3 O2 S
• Calculated formula: C14 H13 N3 O2 S
• Title of publication: “On-water” synthesis of thioxoimidazolidinone-isatin/ninhydrin conjugates, followed by temperature-induced dehydration by a ZnMnO3@Ni(OH)2 nano-catalyst
• Authors of publication: Rana, Soumitra; Basu, Soumyadip; Bera, Aswini; Saha, Pinaki; Ghosh, Prasanta; Khatua, Bhanu Bhusan; Mukhopadhyay, Chhanda
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 2750 - 2762
• a: 17.0626 ± 0.0012 Å
• b: 7.5356 ± 0.0005 Å
• c: 21.0257 ± 0.0014 Å
• α: 90°
• β: 101.637 ± 0.002°
• γ: 90°
• Cell volume: 2647.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No