Information card for entry 2222105

Structure parameters

• Chemical name: 4-(6-Quinolyloxymethyl)benzonitrile
• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• SMILES: O(c1ccc2ncccc2c1)Cc1ccc(cc1)C#N
• Title of publication: 4-(6-Quinolyloxymethyl)benzonitrile
• Authors of publication: Zhao, Min Min; Li, Yong Hua; Wu, De Hong; Wan, Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1261
• a: 9.466 ± 0.002 Å
• b: 13.078 ± 0.003 Å
• c: 10.857 ± 0.002 Å
• α: 90°
• β: 90.81 ± 0.03°
• γ: 90°
• Cell volume: 1343.9 ± 0.5 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: 0.0725
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes