Information card for entry 1554059

Structure parameters

• Common name: morpholinopyridinylurea
• Chemical name: 1-(morpholino(pyridin-4-yl)methyl)urea
• Formula: C11 H16 N4 O2
• Calculated formula: C11 H16 N4 O2
• SMILES: C1N(CCOC1)C(c1ccncc1)NC(=O)N
• Title of publication: Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl
• Authors of publication: Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 38
• Pages of publication: 22025
• a: 12.2079 ± 0.0011 Å
• b: 34.449 ± 0.003 Å
• c: 11.8236 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4972.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No