Information card for entry 2208205

Structure parameters

• Chemical name: 2-tert-Butylamino-1-(4-chlorophenyl)-4,4-dimethyl-1H-imidazolin-5(4H)-one
• Formula: C15 H20 Cl N3 O
• Calculated formula: C15 H20 Cl N3 O
• SMILES: c1(ccc(cc1)N1C(=NC(C1=O)(C)C)NC(C)(C)C)Cl
• Title of publication: 2-<i>tert</i>-Butylamino-1-(4-chlorophenyl)-4,4-dimethyl-1<i>H</i>-imidazolin-5(4<i>H</i>)-one
• Authors of publication: Yuan, Ju-Zhen; Chen, Xin-Miao; Huang, Nian-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o717 - o718
• a: 6.0758 ± 0.0008 Å
• b: 18.834 ± 0.0002 Å
• c: 13.8603 ± 0.0018 Å
• α: 90°
• β: 98.53 ± 0.002°
• γ: 90°
• Cell volume: 1568.5 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0778
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes