Information card for entry 2227495

Structure parameters

• Chemical name: Quinoline-2-carbonitrile
• Formula: C10 H6 N2
• Calculated formula: C10 H6 N2
• SMILES: n1c2c(ccc1C#N)cccc2
• Title of publication: Quinoline-2-carbonitrile
• Authors of publication: Loh, Wan-Sin; Quah, Ching Kheng; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2396
• a: 3.8497 ± 0.0002 Å
• b: 9.9559 ± 0.0004 Å
• c: 19.9639 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 765.16 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes