Information card for entry 2233372

Structure parameters

• Chemical name: 1-[Amino(4-chlorophenyl)methyl]-6-bromonaphthalen-2-ol
• Formula: C17 H13 Br Cl N O
• Calculated formula: C17 H13 Br Cl N O
• SMILES: c12ccc(cc1ccc(c2C(c1ccc(cc1)Cl)N)O)Br
• Title of publication: 1-[Amino(4-chlorophenyl)methyl]-6-bromonaphthalen-2-ol
• Authors of publication: Praveen, A. S.; Yathirajan, H. S.; Harrison, William T. A.; Slawin, Alexandra M. Z.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o535
• a: 4.8026 ± 0.0015 Å
• b: 10.785 ± 0.003 Å
• c: 15.086 ± 0.004 Å
• α: 67.64 ± 0.02°
• β: 79.43 ± 0.02°
• γ: 85.32 ± 0.02°
• Cell volume: 710.3 ± 0.4 ų
• Cell temperature: 73 ± 2 K
• Ambient diffraction temperature: 73 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes