Information card for entry 2241740

Structure parameters

• Chemical name: <i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide
• Formula: C10 H7 N3 O4 S
• Calculated formula: C10 H7 N3 O4 S
• SMILES: s1c(ccc1)C(=O)N/N=C/c1oc(N(=O)=O)cc1
• Title of publication: <i>N</i>'-[(1<i>E</i>)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis
• Authors of publication: Cardoso, Laura N. F.; Nogueira, Thais C. M.; Wardell, James L.; Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 1025 - 1031
• a: 17.4072 ± 0.0016 Å
• b: 17.4072 ± 0.0016 Å
• c: 14.4881 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4390 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes