Information card for entry 2240302

Structure parameters

• Chemical name: (<i>E</i>)-2-[1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-methylhydrazine-1-carbothioamide
• Formula: C11 H13 N3 O2 S
• Calculated formula: C11 H13 N3 O2 S
• Title of publication: Crystal structure of (<i>E</i>)-2-[1-(benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-methylhydrazine-1-carbothioamide
• Authors of publication: de Oliveira, Adriano Bof; Näther, Christian; Jess, Inke; de Farias, Renan Lira; Ribeiro, Iasmin Alves
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o35 - o36
• a: 8.7927 ± 0.0004 Å
• b: 12.5979 ± 0.0006 Å
• c: 10.9254 ± 0.0004 Å
• α: 90°
• β: 106.098 ± 0.003°
• γ: 90°
• Cell volume: 1162.75 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes