Information card for entry 2226888

Structure parameters

• Chemical name: 4'-(Morpholinomethyl)biphenyl-2-carbonitrile
• Formula: C18 H18 N2 O
• Calculated formula: C18 H18 N2 O
• SMILES: C(N1CCOCC1)c1ccc(c2c(cccc2)C#N)cc1
• Title of publication: 4'-(Morpholinomethyl)biphenyl-2-carbonitrile
• Authors of publication: SiMa, Weiwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1884
• a: 10.924 ± 0.006 Å
• b: 10.891 ± 0.005 Å
• c: 12.943 ± 0.007 Å
• α: 90°
• β: 93.269 ± 0.007°
• γ: 90°
• Cell volume: 1537.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes