Information card for entry 2227527

Structure parameters

• Chemical name: 1-(2,4-Dichlorobenzylidene)-4-ethylthiosemicarbazide
• Formula: C10 H11 Cl2 N3 S
• Calculated formula: C10 H11 Cl2 N3 S
• SMILES: S=C(N/N=C/c1c(Cl)cc(Cl)cc1)NCC
• Title of publication: 1-(2,4-Dichlorobenzylidene)-4-ethylthiosemicarbazide
• Authors of publication: Li, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2550
• a: 5.4339 ± 0.0011 Å
• b: 20.526 ± 0.004 Å
• c: 11.313 ± 0.002 Å
• α: 90°
• β: 101.97 ± 0.03°
• γ: 90°
• Cell volume: 1234.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes