Information card for entry 2220333

Structure parameters

• Chemical name: N-Butyl-4-chlorobenzamide
• Formula: C11 H14 Cl N O
• Calculated formula: C11 H14 Cl N O
• SMILES: N(C(=O)c1ccc(Cl)cc1)CCCC
• Title of publication: <i>N</i>-Butyl-4-chlorobenzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Simpson, Jim; Stanley, Roderick G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2322 - o2323
• a: 5.1702 ± 0.0004 Å
• b: 7.8979 ± 0.0005 Å
• c: 13.2978 ± 0.0009 Å
• α: 89.275 ± 0.003°
• β: 84.863 ± 0.004°
• γ: 77.165 ± 0.004°
• Cell volume: 527.29 ± 0.06 ų
• Cell temperature: 81 ± 2 K
• Ambient diffraction temperature: 81 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes