Information card for entry 2213968

Structure parameters

• Chemical name: (5S)-1,4-Bis{[(1E)-4-methylbenzylidene]amino}-5-(thien-2-yl)pyrrolidin-2-one
• Formula: C25 H24 N4 O2 S
• Calculated formula: C25 H24 N4 O2 S
• SMILES: s1c([C@@H]2N(/N=C/c3ccc(cc3)C)C(=O)C[C@H]2C(=O)N/N=C/c2ccc(cc2)C)ccc1.s1c([C@H]2N(/N=C/c3ccc(cc3)C)C(=O)C[C@@H]2C(=O)N/N=C/c2ccc(cc2)C)ccc1
• Title of publication: (5<i>S</i>)-1,4-Bis{[(1<i>E</i>)-4-methylbenzylidene]amino}-5-(thien-2-yl)pyrrolidin-2-one
• Authors of publication: Deepak Chopra; K. N. Venugopala; G. K. Rao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2840 - o2840
• a: 13.777 ± 0.003 Å
• b: 7.6072 ± 0.0014 Å
• c: 23.431 ± 0.004 Å
• α: 90°
• β: 104.167 ± 0.003°
• γ: 90°
• Cell volume: 2381 ± 0.8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1195
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes