Information card for entry 2237550

Structure parameters

• Chemical name: (<i>E</i>)-Ethyl 2-anilino-5-[3-(dimethylamino)acryloyl]-4-phenylthiophene-3-carboxylate
• Formula: C24 H24 N2 O3 S
• Calculated formula: C24 H24 N2 O3 S
• SMILES: s1c(Nc2ccccc2)c(c(c2ccccc2)c1C(=O)/C=C/N(C)C)C(=O)OCC
• Title of publication: (<i>E</i>)-Ethyl 2-anilino-5-[3-(dimethylamino)acryloyl]-4-phenylthiophene-3-carboxylate
• Authors of publication: Mabkhot, Yahia Nasser; Barakat, Assem; Alatibi, Fatima; Choudhary, M. Iqbal; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o351
• a: 6.5776 ± 0.0009 Å
• b: 10.7119 ± 0.0014 Å
• c: 16.516 ± 0.002 Å
• α: 78.459 ± 0.003°
• β: 79.743 ± 0.003°
• γ: 80.765 ± 0.003°
• Cell volume: 1112.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes