Information card for entry 2239195

Structure parameters

• Common name: {2-[(1<i>H</i>-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone
• Chemical name: {2-[(1<i>H</i>-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone
• Formula: C24 H20 N2 O S
• Calculated formula: C24 H20 N2 O S
• SMILES: s1c2c(c(C(=O)c3ccccc3)c1/N=C/c1c3ccccc3[nH]c1)CCCC2
• Title of publication: {2-[(1<i>H</i>-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone
• Authors of publication: Kaur, Manpreet; Jasinski, Jerry P.; Yamuna, Thammarse S.; 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: o501 - o502
• a: 8.66858 ± 0.00016 Å
• b: 21.82 ± 0.0004 Å
• c: 10.41956 ± 0.00018 Å
• α: 90°
• β: 108.171 ± 0.0019°
• γ: 90°
• Cell volume: 1872.56 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes