Information card for entry 2008719

Structure parameters

• Chemical name: 2-(4-cyano-2,6-dichlorophenylimino)imidazolidine
• Formula: C10 H8 Cl2 N4
• Calculated formula: C10 H8 Cl2 N4
• SMILES: Clc1c(N=C2NCCN2)c(Cl)cc(c1)C#N
• Title of publication: Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile
• 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: 7
• Pages of publication: IUC9900066
• a: 10.3746 ± 0.0004 Å
• b: 13.7857 ± 0.0005 Å
• c: 7.9098 ± 0.0004 Å
• α: 90°
• β: 96.637 ± 0.002°
• γ: 90°
• Cell volume: 1123.69 ± 0.08 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: 0.153
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No