Information card for entry 2240466

Structure parameters

• Chemical name: (<i>E</i>)-2-[1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-ethylhydrazine-1-carbothioamide
• Formula: C12 H15 N3 O2 S
• Calculated formula: C12 H15 N3 O2 S
• Title of publication: Crystal structure of (<i>E</i>)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]-<i>N</i>-ethylhydrazine-1-carbothioamide
• Authors of publication: de Oliveira, Adriano Bof; Lira de Farias, Renan; Näther, Christian; Jess, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o208 - o209
• a: 5.7207 ± 0.0003 Å
• b: 10.6225 ± 0.0006 Å
• c: 10.8103 ± 0.0006 Å
• α: 83.908 ± 0.005°
• β: 79.913 ± 0.005°
• γ: 87.029 ± 0.005°
• Cell volume: 642.74 ± 0.06 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes