Information card for entry 2220148

Structure parameters

• Chemical name: Thiophene-2-carbaldehyde 2,4-dinitrophenylhydrazone
• Formula: C11 H8 N4 O4 S
• Calculated formula: C11 H8 N4 O4 S
• SMILES: c1(cc(ccc1NN=Cc1cccs1)N(=O)=O)N(=O)=O
• Title of publication: Thiophene-2-carbaldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Yin, Zhi-gang; Qian, Heng-yu; Li, He-ping; Hu, Jie; Zhang, Chun-xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2421
• a: 4.8994 ± 0.0017 Å
• b: 9.52 ± 0.003 Å
• c: 25.708 ± 0.008 Å
• α: 90°
• β: 92.71 ± 0.02°
• γ: 90°
• Cell volume: 1197.7 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes