Information card for entry 2239018

Structure parameters

• Chemical name: <i>N</i>-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide
• Formula: C17 H17 N3 S
• Calculated formula: C17 H17 N3 S
• SMILES: S=C(Nc1ccccc1)N/N=C1\CCCc2c1cccc2
• Title of publication: <i>N</i>-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide
• Authors of publication: de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o205
• a: 8.4415 ± 0.0003 Å
• b: 18.0256 ± 0.0007 Å
• c: 10.026 ± 0.0003 Å
• α: 90°
• β: 107.495 ± 0.002°
• γ: 90°
• Cell volume: 1455.02 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes