Information card for entry 2201277

Structure parameters

• Formula: C15 H14 N2 O3
• Calculated formula: C15 H14 N2 O3
• SMILES: O=N(=O)c1ccc(cc1)C(=O)c1ccc(N(C)C)cc1
• Title of publication: 4-Dimethylamino-4'-nitrobenzophenone
• Authors of publication: Kolev, Tsonko; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o867 - o868
• a: 6.1527 ± 0.0003 Å
• b: 28.9053 ± 0.0015 Å
• c: 7.4404 ± 0.0004 Å
• α: 90°
• β: 92.036 ± 0.002°
• γ: 90°
• Cell volume: 1322.41 ± 0.12 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• 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: 0.1319
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes