Information card for entry 2228298

Structure parameters

• Chemical name: 2,6-Dimethyl-4-(1,3,4-oxadiazol-2-yl)quinoline
• Formula: C13 H11 N3 O
• Calculated formula: C13 H11 N3 O
• SMILES: n1c(C)cc(c2cc(C)ccc12)c1ocnn1
• Title of publication: 2,6-Dimethyl-4-(1,3,4-oxadiazol-2-yl)quinoline
• Authors of publication: Kashaev, Artyom G.; Zimichev, Anatoliy V.; Rybakov, Victor B.; Klimochkin, Yurij N.; Zemtsova, Margarita N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3333
• a: 15.5372 ± 0.0014 Å
• b: 9.7546 ± 0.0007 Å
• c: 7.3984 ± 0.0005 Å
• α: 90°
• β: 100.64 ± 0.01°
• γ: 90°
• Cell volume: 1102.02 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes