Information card for entry 2239417

Structure parameters

• Chemical name: 2,5-Bis{[(‒)-(<i>S</i>)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene
• Formula: C22 H20 Br2 N2 S
• Calculated formula: C22 H20 Br2 N2 S
• SMILES: C[C@@H](c1ccc(cc1)Br)/N=C/c1ccc(s1)/C=N/[C@H](c1ccc(cc1)Br)C
• Title of publication: 2,5-Bis{[({-})-(<i>S</i>)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene
• Authors of publication: Mendoza, Angel; Bernès, Sylvain; Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o345
• a: 24.5329 ± 0.0015 Å
• b: 5.9762 ± 0.0005 Å
• c: 7.5944 ± 0.0005 Å
• α: 90°
• β: 98.536 ± 0.006°
• γ: 90°
• Cell volume: 1101.11 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes