Information card for entry 2007306

Structure parameters

• Chemical name: 2-methylamino-9-fluoro-5-nitrobenzophenone
• Formula: C14 H11 F N2 O3
• Calculated formula: C14 H11 F N2 O3
• SMILES: Fc1c(C(=O)c2c(NC)ccc(N(=O)=O)c2)cccc1
• Title of publication: 2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone
• Authors of publication: Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 856 - 859
• a: 4.215 ± 0.0017 Å
• b: 13.602 ± 0.0018 Å
• c: 21.547 ± 0.007 Å
• α: 90°
• β: 94.748 ± 0.0011°
• γ: 90°
• Cell volume: 1231.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.496
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No