Information card for entry 2237434

Structure parameters

• Chemical name: (<i>E</i>)-Phenyl(pyridin-2-yl)methanone oxime
• Formula: C12 H10 N2 O
• Calculated formula: C12 H10 N2 O
• SMILES: O/N=C(/c1ccccn1)c1ccccc1
• Title of publication: A second monoclinic polymorph of (<i>E</i>)-phenyl(pyridin-2-yl)methanone oxime
• Authors of publication: Rodríguez-Mora, Monserrath I.; Reyes-Martínez, Reyna; Flores-Alamo, Marcos; García, Juventino J.; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o310
• a: 5.6732 ± 0.0004 Å
• b: 23.257 ± 0.002 Å
• c: 7.4516 ± 0.0005 Å
• α: 90°
• β: 97.743 ± 0.007°
• γ: 90°
• Cell volume: 974.21 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0557
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes