Information card for entry 2217642

Structure parameters

• Chemical name: N,N-Dimethyl-4-[5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazol- 2-yl]aniline
• Formula: C20 H19 N5 O
• Calculated formula: C20 H19 N5 O
• SMILES: o1c(nnc1c1ccc(N(C)C)cc1)c1c(n(nc1)c1ccccc1)C
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-4-[5-(5-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]aniline
• Authors of publication: Shu-Wen Wang; Zheng-Quan Zuo; Wen-Long Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o353 - o353
• a: 17.746 ± 0.007 Å
• b: 6.942 ± 0.003 Å
• c: 14.474 ± 0.006 Å
• α: 90°
• β: 99.738 ± 0.005°
• γ: 90°
• Cell volume: 1757.4 ± 1.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes