Information card for entry 2020706

Structure parameters

• Chemical name: (2-Hydroxybenzoyl)carbonohydrazonodithioate
• Formula: C12 H16 N2 O2 S2
• Calculated formula: C12 H16 N2 O2 S2
• Title of publication: Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid
• Authors of publication: Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 84 - 90
• a: 12.8212 ± 0.0005 Å
• b: 10.5085 ± 0.0004 Å
• c: 10.6608 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.35 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes