Information card for entry 2218676

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzamide
• Formula: C15 H14 Cl N O
• Calculated formula: C15 H14 Cl N O
• SMILES: O=C(c1ccc(cc1)Cl)Nc1c(C)cccc1C
• Title of publication: 4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzamide
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Sowmya, B. P.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1365
• a: 12.2696 ± 0.0003 Å
• b: 13.6249 ± 0.0004 Å
• c: 13.7981 ± 0.0004 Å
• α: 91.88 ± 0.002°
• β: 113.623 ± 0.002°
• γ: 90.3676 ± 0.0018°
• Cell volume: 2111.74 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes