Information card for entry 2241532

Structure parameters

• Chemical name: 3-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione
• Formula: C18 H20 N4 O2 S2
• Calculated formula: C18 H20 N4 O2 S2
• Title of publication: Crystal structure of 3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione
• Authors of publication: Al-Alshaikh, Monirah A.; Abuelizz, Hatem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 269 - 272
• a: 15.2925 ± 0.0002 Å
• b: 10.0745 ± 0.0001 Å
• c: 11.9726 ± 0.0001 Å
• α: 90°
• β: 93.413 ± 0.001°
• γ: 90°
• Cell volume: 1841.28 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes