Information card for entry 2007242

Structure parameters

• Chemical name: Phenyl-2-pyridylketone
• Formula: C12 H9 N O
• Calculated formula: C12 H9 N O
• SMILES: O=C(c1ccccc1)c1ccccn1
• Title of publication: Phenyl 2-Pyridyl Ketone at 150K
• Authors of publication: Sievert, Mark; Dienelt, Ruediger; Bock, Hans
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 674 - 676
• a: 7.855 ± 0.002 Å
• b: 9.982 ± 0.002 Å
• c: 11.589 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 908.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.0968
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No