Information card for entry 2212434

Structure parameters

• Chemical name: 1-[1-(2-Chlorophenyl)ethylidene]thiosemicarbazide
• Formula: C9 H10 Cl N3 S
• Calculated formula: C9 H10 Cl N3 S
• SMILES: Clc1c(C(=N/NC(=S)N)/C)cccc1
• Title of publication: 1-[1-(2-Chlorophenyl)ethylidene]thiosemicarbazide
• Authors of publication: Jian-Gang Wang; Fang-Fang Jian; Xiao-Yan Ren; Shi-Hong Kan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1160 - o1161
• a: 11.482 ± 0.002 Å
• b: 8.1751 ± 0.0016 Å
• c: 13.232 ± 0.006 Å
• α: 90°
• β: 120.52 ± 0.02°
• γ: 90°
• Cell volume: 1070 ± 0.6 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: 0.06
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes