Information card for entry 2231436

Structure parameters

• Chemical name: (<i>E</i>)-2-Methyl-5-(thiophen-2-ylmethylidene)cyclopentan-1-one
• Formula: C11 H12 O S
• Calculated formula: C10.999 H12 O S
• SMILES: O=C1C(C)CC/C1=C\c1cccs1
• Title of publication: (<i>E</i>)-2-Methyl-5-(thiophen-2-ylmethylidene)cyclopentan-1-one
• Authors of publication: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2443
• a: 12.0667 ± 0.0005 Å
• b: 11.0576 ± 0.0004 Å
• c: 7.3003 ± 0.0003 Å
• α: 90°
• β: 100.469 ± 0.004°
• γ: 90°
• Cell volume: 957.85 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0513
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes