Information card for entry 7226044

Structure parameters

• Chemical name: 5-(naphthalen-2-ylmethyl)-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione
• Formula: C19 H21 N3 O S
• Calculated formula: C19 H21 N3 O S
• SMILES: S=C1OC(=NN1CN1CCCCC1)Cc1ccc2ccccc2c1
• Title of publication: Synthesis and effects of oxadiazole derivatives on tyrosinase activity and human SK-MEL-28 malignant melanoma cells
• Authors of publication: Mohd Aluwi, Mohd Fadhlizil Fasihi; Rullah, Kamal; Tan, Huan Huan; Chan, Kok Meng; Tan, Jie Si; Leong, Sze Wei; Mansor, Ahmad Hasnan; Yamin, Bohari M.; Wai, Lam Kok
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.0419 ± 0.0004 Å
• b: 8.0935 ± 0.0005 Å
• c: 15.4614 ± 0.0008 Å
• α: 85.744 ± 0.002°
• β: 89.568 ± 0.002°
• γ: 80.461 ± 0.002°
• Cell volume: 866.61 ± 0.09 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No