Information card for entry 2222176

Structure parameters

• Chemical name: 2-(2-Thienyl)-4,5-dihydro-1H-imidazole
• Formula: C7 H8 N2 S
• Calculated formula: C7 H8 N2 S
• SMILES: s1cccc1C1=NCCN1
• Title of publication: 2-(2-Thienyl)-4,5-dihydro-1<i>H</i>-imidazole. Corrigendum
• Authors of publication: Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: e15
• a: 6.1321 ± 0.0002 Å
• b: 11.5663 ± 0.0003 Å
• c: 10.0098 ± 0.0003 Å
• α: 90°
• β: 90.154 ± 0.001°
• γ: 90°
• Cell volume: 709.95 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0275
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes