Information card for entry 8105380

Structure parameters

• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: O1C(=NN(C1c1nc2c(cc1)cccc2)C(=O)C)c1cnccc1
• Title of publication: Synthesis and crystal structure of 3-N-acetyl-5-(pyridin-3-yl)-2-(quinolin-2-yl)-1,3,4-oxadiazoline, C18H14N4O2
• Authors of publication: Yu, Xiang; Peng, Lu; Wang, Xin; Chen, Ya-Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1067 - 1068
• a: 7.6557 ± 0.0007 Å
• b: 11.0905 ± 0.0008 Å
• c: 11.3544 ± 0.0009 Å
• α: 61.643 ± 0.001°
• β: 73.6 ± 0.002°
• γ: 75.397 ± 0.002°
• Cell volume: 805.86 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No