Information card for entry 2007305

Structure parameters

• Chemical name: 2-amino-5-nitrobenzophenone
• Formula: C13 H10 N2 O3
• Calculated formula: C13 H10 N2 O3
• SMILES: O=C(c1c(N)ccc(N(=O)=O)c1)c1ccccc1
• 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: 5.7358 ± 0.0015 Å
• b: 14.693 ± 0.002 Å
• c: 13.112 ± 0.0012 Å
• α: 90°
• β: 98.87 ± 0.04°
• γ: 90°
• Cell volume: 1091.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.0718
• Goodness-of-fit parameter for all reflections: 0.757
• Goodness-of-fit parameter for significantly intense reflections: 0.957
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No