Information card for entry 2235424

Structure parameters

• Chemical name: (2<i>E</i>)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one
• Formula: C15 H12 O S
• Calculated formula: C15 H12 O S
• SMILES: s1cccc1/C=C1/C(=O)c2ccccc2CC1
• Title of publication: (2<i>E</i>)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2298
• a: 24.7989 ± 0.001 Å
• b: 3.9976 ± 0.0002 Å
• c: 11.3163 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1121.85 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes