Information card for entry 2020385

Structure parameters

• Chemical name: <i>N</i>-(4-Acetylphenyl)-2-chloroacetamide
• Formula: C10 H10 Cl N O2
• Calculated formula: C10 H10 Cl N O2
• SMILES: O=C(C)c1ccc(cc1)NC(=O)CCl
• Title of publication: Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate
• Authors of publication: Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 94 - 98
• a: 4.1713 ± 0.0001 Å
• b: 14.7792 ± 0.0004 Å
• c: 16.1755 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 997.19 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes