Information card for entry 2239233

Structure parameters

• Common name: {2-[(2-Hydroxy-benzylidene)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl}- phenyl-methanone
• Chemical name: {2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone
• Formula: C22 H19 N O2 S
• Calculated formula: C22 H19 N O2 S
• SMILES: Oc1ccccc1/C=N/c1sc2c(c1C(=O)c1ccccc1)CCCC2
• Title of publication: {2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone
• Authors of publication: Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, H.S.; Byrappa, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o476 - o477
• a: 9.26395 ± 0.00015 Å
• b: 14.2886 ± 0.0002 Å
• c: 13.6476 ± 0.0002 Å
• α: 90°
• β: 96.7581 ± 0.0015°
• γ: 90°
• Cell volume: 1793.97 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0531
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes