Information card for entry 2228360

Structure parameters

• Chemical name: 1-(4-Chlorobenzylidene)-4-ethylthiosemicarbazide
• Formula: C10 H12 Cl N3 S
• Calculated formula: C10 H12 Cl N3 S
• SMILES: S=C(N/N=C/c1ccc(Cl)cc1)NCC
• Title of publication: 1-(4-Chlorobenzylidene)-4-ethylthiosemicarbazide
• Authors of publication: Li, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3256
• a: 4.6769 ± 0.001 Å
• b: 26.727 ± 0.006 Å
• c: 9.791 ± 0.003 Å
• α: 90°
• β: 102.59 ± 0.03°
• γ: 90°
• Cell volume: 1194.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1275
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes