Information card for entry 2008841

Structure parameters

• Chemical name: 2-(4-hydroxymethyl-2,6-dichlorophenylimino)imidazolidine
• Formula: C10 H11 Cl2 N3 O
• Calculated formula: C10 H11 Cl2 N3 O
• SMILES: Clc1c(/N=C2/NCCN2)c(Cl)cc(c1)CO
• Title of publication: Substituted clonidine derivatives. III. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzyl alcohol and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzyl isobutyrate
• 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: IUC9900086
• a: 13.73 ± 0.0001 Å
• b: 8.54 ± 0.0001 Å
• c: 19.741 ± 0.0001 Å
• α: 90°
• β: 96.363 ± 0.001°
• γ: 90°
• Cell volume: 2300.46 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No