Information card for entry 2240424

Structure parameters

• Chemical name: 3-[(4-Benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione
• Formula: C18 H20 N4 O S2
• Calculated formula: C18 H20 N4 O S2
• Title of publication: Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione
• Authors of publication: Al-Omary, Fatmah A. M.; El-Emam, Ali A.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o175 - o176
• a: 10.6909 ± 0.0005 Å
• b: 29.3658 ± 0.0013 Å
• c: 15.6179 ± 0.0006 Å
• α: 90°
• β: 130.283 ± 0.002°
• γ: 90°
• Cell volume: 3740.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.067
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes