Information card for entry 2219213

Structure parameters

• Chemical name: 1-[1-(4-Nitrophenyl)ethylidene]thiosemicarbazide
• Formula: C9 H10 N4 O2 S
• Calculated formula: C9 H10 N4 O2 S
• SMILES: S=C(N/N=C(c1ccc(N(=O)=O)cc1)\C)N
• Title of publication: 1-[1-(4-Nitrophenyl)ethylidene]thiosemicarbazide
• Authors of publication: Wang, Jian-Gang; Jian, Fang-Fang; Ding, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1730
• a: 7.445 ± 0.0015 Å
• b: 9.318 ± 0.0019 Å
• c: 9.405 ± 0.0019 Å
• α: 62.08 ± 0.03°
• β: 76.41 ± 0.03°
• γ: 69.02 ± 0.03°
• Cell volume: 536.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes