Information card for entry 2206296

Structure parameters

• Chemical name: N-(1-Benzylpiperidin-4-yl)-N'-(4-methoxybenzoyl)thiourea
• Formula: C21 H25 N3 O2 S
• Calculated formula: C21 H25 N3 O2 S
• SMILES: S=C(NC(=O)c1ccc(OC)cc1)NC1CCN(CC1)Cc1ccccc1
• Title of publication: <i>N</i>-(1-Benzylpiperidin-4-yl)-<i>N</i>'-(4-methoxybenzoyl)thiourea
• Authors of publication: Yusof, Sukeri M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2265 - o2266
• a: 11.775 ± 0.002 Å
• b: 7.0646 ± 0.0014 Å
• c: 24.362 ± 0.005 Å
• α: 90°
• β: 94.777 ± 0.004°
• γ: 90°
• Cell volume: 2019.5 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes