Information card for entry 2008840

Structure parameters

• Chemical name: 2-(4-carboethoxy-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine
• Formula: C20 H25 Cl2 N3 O4
• Calculated formula: C20 H25 Cl2 N3 O4
• SMILES: Clc1c(/N=C/2N(CCN2C(=O)C(C)C)C(=O)C(C)C)c(Cl)cc(c1)C(=O)OCC
• Title of publication: Substituted clonidine derivatives. II. Ethyl 3,5-dichloro-4-(1-isobutyrylimidazolidin-2-ylideneamino)benzoate and ethyl 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzoate
• Authors of publication: E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: IUC9900085
• a: 42.7786 ± 0.0003 Å
• b: 9.2896 ± 0.0002 Å
• c: 22.7485 ± 0.0003 Å
• α: 90°
• β: 104.407 ± 0.001°
• γ: 90°
• Cell volume: 8755.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.199
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No