Information card for entry 2008450

Structure parameters

• Chemical name: 3-(2-pyridyl)-4-n-propyl-1,2,4-oxadiazoline-5-thione
• Formula: C10 H11 N3 O S
• Calculated formula: C10 H11 N3 O S
• SMILES: CCCN1C(=S)ON=C1c1ccccn1
• Title of publication: Two novel 3,4-disubstituted 1,2,4-oxadiazole-5(4<i>H</i>)-thiones
• Authors of publication: Billodeaux, Damon R.; Fronczek, Frank R.; Dürüşt, Yas̨ar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 761 - 764
• a: 7.728 ± 0.001 Å
• b: 8.826 ± 0.002 Å
• c: 9.3699 ± 0.0009 Å
• α: 112.89 ± 0.01°
• β: 112.029 ± 0.009°
• γ: 94.84 ± 0.01°
• Cell volume: 525.57 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No