Information card for entry 2235804

Structure parameters

• Common name: Tetralone thiosemicarbazone
• Chemical name: 2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide
• Formula: C11 H13 N3 S
• Calculated formula: C11 H13 N3 S
• SMILES: C\1(=N/NC(=S)N)CCCc2ccccc12
• Title of publication: 2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide
• Authors of publication: de Oliveira, Adriano Bof; Silva, Cecília Santos; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2581
• a: 15.4388 ± 0.0011 Å
• b: 5.5781 ± 0.0003 Å
• c: 26.338 ± 0.002 Å
• α: 90°
• β: 102.94 ± 0.006°
• γ: 90°
• Cell volume: 2210.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes