Information card for entry 2104101

Structure parameters

• Common name: 2-Amino-2',5-dichlorobenzophenone
• Formula: C13 H9 Cl2 N O
• Calculated formula: C13 H9 Cl2 N O
• SMILES: Clc1ccc(N)c(c1)C(=O)c1c(Cl)cccc1
• Title of publication: Conformations of substituted benzophenones
• Authors of publication: Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: 206 - 216
• a: 7.8897 ± 0.0003 Å
• b: 9.5581 ± 0.0004 Å
• c: 16.1101 ± 0.0005 Å
• α: 90°
• β: 96.416 ± 0.002°
• γ: 90°
• Cell volume: 1207.26 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes