Information card for entry 2207397

Structure parameters

• Chemical name: 1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]4-{[3-(3-methoxyphenyl)- 1,2,4-oxadiazol-5-yl]methyl}piperazine
• Formula: C24 H29 N5 O3
• Calculated formula: C24 H29 N5 O3
• SMILES: O(C)c1cccc(c1)c1noc(n1)CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C
• Title of publication: 1-[(2,6-Dimethylphenyl)aminocarbonylmethyl]-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
• Authors of publication: Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3750 - o3751
• a: 17.12 ± 0.003 Å
• b: 10.271 ± 0.002 Å
• c: 13.042 ± 0.003 Å
• α: 90°
• β: 91.1 ± 0.03°
• γ: 90°
• Cell volume: 2292.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.157
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No