Information card for entry 2237783

Structure parameters

• Chemical name: 1-[4-(Dimethylamino)benzylidene]-4-<i>o</i>-tolylthiosemicarbazide
• Formula: C17 H20 N4 S
• Calculated formula: C17 H20 N4 S
• SMILES: S=C(Nc1ccccc1C)N/N=C/c1ccc(cc1)N(C)C
• Title of publication: 1-[4-(Dimethylamino)benzylidene]-4-<i>o</i>-tolylthiosemicarbazide
• Authors of publication: Huang, Rui-Yun; Xu, Qin-Juan; Lin, Li-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o906 - o907
• a: 9.172 ± 0.003 Å
• b: 12.224 ± 0.004 Å
• c: 15.563 ± 0.005 Å
• α: 86.933 ± 0.006°
• β: 86.99 ± 0.007°
• γ: 70.382 ± 0.006°
• Cell volume: 1640.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes