Information card for entry 2223358

Structure parameters

• Chemical name: 1-(But-2-enylidene)-2-(2-nitrophenyl)hydrazine
• Formula: C10 H11 N3 O2
• Calculated formula: C10 H11 N3 O2
• SMILES: C/C=C/C=N/Nc1ccccc1N(=O)=O
• Title of publication: 1-(But-2-enylidene)-2-(2-nitrophenyl)hydrazine
• Authors of publication: Yin, Zhi-Gang; Qian, Heng-Yu; Zhu, Xue-Wen; Zhang, Chun-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2491
• a: 4.239 ± 0.0006 Å
• b: 11.456 ± 0.002 Å
• c: 11.984 ± 0.0017 Å
• α: 113.271 ± 0.015°
• β: 96.534 ± 0.012°
• γ: 95.595 ± 0.013°
• Cell volume: 524.64 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes