Information card for entry 2212334

Structure parameters

• Formula: C9 H10 F N3 S
• Calculated formula: C9 H10 F N3 S
• SMILES: S=C(N\N=C(c1c(F)cccc1)/C)N
• Title of publication: 1-[1-(2-Fluorophenyl)ethylidene]thiosemicarbazide
• Authors of publication: Wang, Jian-Gang; Jian, Fang-Fang; Wang, Jing; Liu, Xue-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o608 - o609
• a: 6.492 ± 0.0013 Å
• b: 18.589 ± 0.004 Å
• c: 8.6 ± 0.0017 Å
• α: 90°
• β: 97.03 ± 0.03°
• γ: 90°
• Cell volume: 1030 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes