Information card for entry 7010012

Structure parameters

• Chemical name: 3-isatin thiosemicarbazone
• Formula: C9 H8 N4 O S
• Calculated formula: C9 H8 N4 O S
• Title of publication: Reactions of diorganotin(IV) oxides with isatin 3- and 2-thiosemicarbazones and with isatin 2,3-bis(thiosemicarbazone): influence of diphenyldithiophosphinic acid (isatin = 1H-indole-2,3-dione)
• Authors of publication: Casas, José S.; Castiñeiras, Alfonso; Rodríguez-Argüelles, María C.; Sánchez, Agustín; Sordo, José; Vázquez-López, Antonia; Vázquez-López, Ezequiel M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4056
• a: 15.0072 ± 0.0018 Å
• b: 15.25 ± 0.0019 Å
• c: 4.3768 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1001.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2315
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No