Information card for entry 7225833

Structure parameters

• Chemical name: Methyl (E)-5-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
• Formula: C24 H20 N2 O4 S2
• Calculated formula: C24 H20 N2 O4 S2
• SMILES: S1C(Nc2ccccc2)=C(C(=O)/C1=C1\SC(=C(N1c1ccccc1)C)C(=O)C)C(=O)OC
• Title of publication: Synthesis, antimicrobial, anti-cancer and molecular docking of two novel hitherto unreported thiophenes
• Authors of publication: Mabkhot, Yahia N.; Kheder, Nabila Abdelshafy; Barakat, Assem; Choudhary, Muhammad I.; Yousuf, Sammer; Frey, Wolfgang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 68
• Pages of publication: 63724
• a: 9.0844 ± 0.0008 Å
• b: 11.8316 ± 0.001 Å
• c: 11.9311 ± 0.001 Å
• α: 117.753 ± 0.002°
• β: 97.176 ± 0.002°
• γ: 101.322 ± 0.002°
• Cell volume: 1077.65 ± 0.16 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: 0.0655
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No