Information card for entry 2008909

Structure parameters

• Common name: Dicyclohexyl-N-(3-pyridinylcarbonyl)urea
• Chemical name: N,N`-dicyclohexyl-N-(3-pyridinylcarbonyl)urea
• Formula: C19 H27 N3 O2
• Calculated formula: C19 H27 N3 O2
• SMILES: O=C(N(C(=O)NC1CCCCC1)C1CCCCC1)c1cnccc1
• Title of publication: Intermolecular N—H···N and C—H···O interactions from one-dimensional chains comprising the two independent molecues of <i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>-nicotinoylurea
• Authors of publication: Gallagher, John F.; Kenny, Peter T.M.; Sheehy, Michael J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1607 - 1610
• a: 9.6855 ± 0.0011 Å
• b: 12.775 ± 0.003 Å
• c: 16.053 ± 0.006 Å
• α: 67.29 ± 0.03°
• β: 87.64 ± 0.017°
• γ: 85.75 ± 0.017°
• Cell volume: 1827.1 ± 0.9 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes