Information card for entry 2212905

Structure parameters

• Chemical name: Thiophene-2-carbaldehyde 3-nitrophenylhydrazone
• Formula: C11 H9 N3 O2 S
• Calculated formula: C11 H9 N3 O2 S
• SMILES: s1c(ccc1)/C=N/Nc1cc(N(=O)=O)ccc1
• Title of publication: Thiophene-2-carbaldehyde 3-nitrophenylhydrazone
• Authors of publication: Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1848 - o1850
• a: 5.9309 ± 0.0003 Å
• b: 5.6529 ± 0.0003 Å
• c: 17.2697 ± 0.001 Å
• α: 90°
• β: 91.762 ± 0.002°
• γ: 90°
• Cell volume: 578.72 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes