Information card for entry 2229727

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-Nitroprop-1-enyl)thiophene
• Formula: C7 H7 N O2 S
• Calculated formula: C7 H7 N O2 S
• SMILES: s1c(/C=C(N(=O)=O)\C)ccc1
• Title of publication: (<i>E</i>)-2-(2-Nitroprop-1-enyl)thiophene
• Authors of publication: Li, Zhao-Bo; Shen, Li-Li; Li, Jia-Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o983
• a: 6.7545 ± 0.0006 Å
• b: 16.694 ± 0.0013 Å
• c: 7.4527 ± 0.0004 Å
• α: 90°
• β: 110.64 ± 0.007°
• γ: 90°
• Cell volume: 786.42 ± 0.11 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes