Information card for entry 2239683

Structure parameters

• Chemical name: <i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide
• Formula: C12 H15 N3 S
• Calculated formula: C12 H15 N3 S
• SMILES: S=C(N/N=C(/C=C/c1ccccc1)\C)NC
• Title of publication: <i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide
• Authors of publication: Rocha, Fillipe Vieira; de Godoy Netto, Adelino Vieira; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o800
• a: 10.5832 ± 0.0002 Å
• b: 7.9509 ± 0.0002 Å
• c: 28.9259 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2434 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes