Information card for entry 2213395

Structure parameters

• Chemical name: N-(4-Fluorophenyl)-2-{[(1E)-(4-methoxyphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide
• Formula: C23 H21 F N2 O2 S
• Calculated formula: C23 H21 F N2 O2 S
• SMILES: Fc1ccc(NC(=O)c2c(/N=C/c3ccc(OC)cc3)sc3CCCCc23)cc1
• Title of publication: <i>N</i>-(4-Fluorophenyl)-2-{[(1<i>E</i>)-(4-methoxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• Authors of publication: Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Mohan, S.; Saravanan, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2077 - o2079
• a: 8.6363 ± 0.0011 Å
• b: 11.066 ± 0.0014 Å
• c: 11.8153 ± 0.0015 Å
• α: 67.874 ± 0.003°
• β: 81.656 ± 0.002°
• γ: 70.473 ± 0.002°
• Cell volume: 985.6 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes