Information card for entry 2232725

Structure parameters

• Chemical name: 5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(morpholin-4- ylmethyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione
• Formula: C25 H21 F2 N3 O3 S
• Calculated formula: C25 H21 F2 N3 O3 S
• SMILES: S=C1OC(=NN1CN1CCOCC1)c1c(O)cc(c2ccc(F)cc2)cc1c1ccc(F)cc1
• Title of publication: 5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Samshuddin, S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3372
• a: 16.0547 ± 0.0014 Å
• b: 11.4125 ± 0.0011 Å
• c: 25.364 ± 0.002 Å
• α: 90°
• β: 94.202 ± 0.002°
• γ: 90°
• Cell volume: 4634.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes