Information card for entry 7225834

Structure parameters

• Chemical name: (E)-5-(5-acetyl-4-methyl-3-phenylthiazol-2(3H)-ylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
• Formula: C25 H22 N2 O4 S2
• Calculated formula: C25 H22 N2 O4 S2
• 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: 7.1651 ± 0.0006 Å
• b: 16.446 ± 0.0011 Å
• c: 19.784 ± 0.0014 Å
• α: 90°
• β: 100.202 ± 0.004°
• γ: 90°
• Cell volume: 2294.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No