Information card for entry 2238027

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide
• Formula: C14 H10 Cl F2 N O
• Calculated formula: C14 H10 Cl F2 N O
• SMILES: O=C(Nc1ccc(c(c1)F)F)Cc1ccc(cc1)Cl
• Title of publication: 2-(4-Chlorophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide
• Authors of publication: Praveen, A. S.; Yathirajan, H. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o996 - o997
• a: 4.8935 ± 0.0005 Å
• b: 5.8995 ± 0.0006 Å
• c: 42.572 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1229 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No