Information card for entry 2216238

Structure parameters

• Chemical name: <i>N</i>-[Phenyl(piperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
• Formula: C14 H18 N4 S
• Calculated formula: C14 H18 N4 S
• SMILES: c1nnc(NC(c2ccccc2)N2CCCCC2)s1
• Title of publication: <i>N</i>-[Phenyl(piperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
• Authors of publication: Liu, Juan; Deng, Yu-Heng; Li, Pei-Zhou; Jin, Qiong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4849 - o4849
• a: 19.165 ± 0.004 Å
• b: 6.4232 ± 0.0013 Å
• c: 23.093 ± 0.005 Å
• α: 90°
• β: 96.19 ± 0.03°
• γ: 90°
• Cell volume: 2826.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes