Information card for entry 7118362

Structure parameters

• Common name: acetamide
• Chemical name: 2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
• Formula: C8 H5 Cl3 F N O
• Calculated formula: C8 H5 Cl3 F N O
• SMILES: Clc1c(F)ccc(NC(=O)C(Cl)Cl)c1
• Title of publication: 'Dual hit' metabolic modulator LDCA selectively kills cancer cells by efficient competitive inhibition of LDH-A.
• Authors of publication: Ghosh, Monisankar; Saha, Suchandrima; Dutta, Samir Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2401 - 2404
• a: 9.1964 ± 0.001 Å
• b: 11.7747 ± 0.0012 Å
• c: 9.7412 ± 0.001 Å
• α: 90°
• β: 98.134 ± 0.005°
• γ: 90°
• Cell volume: 1044.21 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No