Information card for entry 2235438

Structure parameters

• Chemical name: (<i>Z</i>)-4-Chloro-<i>N</i>-(1-{2-[3-(4- chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide
• Formula: C20 H19 Cl2 N5 O2 S
• Calculated formula: C20 H19 Cl2 N5 O2 S
• SMILES: Clc1ccc(cc1)C(=O)/N=C1\NCCN1CCNC(=S)NC(=O)c1ccc(Cl)cc1
• Title of publication: (<i>Z</i>)-4-Chloro-<i>N</i>-(1-{2-[3-(4-chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide
• Authors of publication: Adan, Dalina; Sapari, Suhaila; Halim, Siti Nadiah; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2226
• a: 24.488 ± 0.007 Å
• b: 6.645 ± 0.002 Å
• c: 13.108 ± 0.004 Å
• α: 90°
• β: 97.16 ± 0.02°
• γ: 90°
• Cell volume: 2116.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes