Information card for entry 2227545

Structure parameters

• Chemical name: 1-Benzylidene-4-ethylthiosemicarbazide
• Formula: C10 H13 N3 S
• Calculated formula: C10 H13 N3 S
• SMILES: S=C(NCC)N/N=C/c1ccccc1
• Title of publication: 1-Benzylidene-4-ethylthiosemicarbazide
• Authors of publication: Li, Yu-Feng; Zhang, Yun-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2686
• a: 8.4899 ± 0.0017 Å
• b: 13.467 ± 0.003 Å
• c: 10.015 ± 0.002 Å
• α: 90°
• β: 96.04 ± 0.03°
• γ: 90°
• Cell volume: 1138.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes