Information card for entry 2201000

Structure parameters

• Chemical name: N,N'-dicyclohexyl-N-(2-pyrazinoyl)urea
• Formula: C18 H26 N4 O2
• Calculated formula: C18 H26 N4 O2
• SMILES: n1ccnc(c1)C(=O)N(C1CCCCC1)C(=O)NC1CCCCC1
• Title of publication: <i>N,N</i>'-Dicyclohexyl-<i>N</i>-(2-pyrazinoyl)urea
• Authors of publication: Chérioux, Frédéric; Therrien, Bruno; Stoeckli-Evans, Helen; Süss-Fink, Georg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o27 - o29
• a: 9.4745 ± 0.0008 Å
• b: 11.9101 ± 0.0007 Å
• c: 15.8212 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes