Information card for entry 2238535

Structure parameters

• Chemical name: 2,5-Bis{[(-)-(<i>S</i>)-1-(4-methylphenyl)ethyl]iminomethyl}thiophene
• Formula: C24 H26 N2 S
• Calculated formula: C24 H26 N2 S
• SMILES: C[C@@H](c1ccc(cc1)C)/N=C/c1ccc(s1)/C=N/[C@H](c1ccc(cc1)C)C
• Title of publication: 2,5-Bis{[(‒)-(<i>S</i>)-1-(4-methylphenyl)ethyl]iminomethyl}thiophene
• Authors of publication: Bernès, Sylvain; Hernández-Téllez, Guadalupe; Sharma, Manju; Portillo-Moreno, Oscar; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1428
• a: 6.278 ± 0.003 Å
• b: 7.9 ± 0.003 Å
• c: 21.5 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1066.3 ± 0.7 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes