Information card for entry 2223724

Structure parameters

• Chemical name: <i>N</i>-[2-(2-Bromobenzylamino)phenyl]-<i>N</i>-butyl-formamide
• Formula: C18 H21 Br N2 O
• Calculated formula: C18 H21 Br N2 O
• SMILES: CCCCN(c1ccccc1NCc1ccccc1Br)C=O
• Title of publication: <i>N</i>-[2-(2-Bromobenzylamino)phenyl]-<i>N</i>-butylformamide
• Authors of publication: Manjare, Sudesh T.; Butcher, Ray J.; Singh, Harkesh B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2826
• a: 8.7067 ± 0.0004 Å
• b: 10.8208 ± 0.0006 Å
• c: 19.748 ± 0.0013 Å
• α: 87.18 ± 0.005°
• β: 82.622 ± 0.005°
• γ: 66.706 ± 0.005°
• Cell volume: 1694.72 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.132
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes