Information card for entry 1554058

Structure parameters

• Chemical name: 1-(piperidin-1-yl(pyridin-4-yl)methyl)urea
• Formula: C12 H18 N4 O
• Calculated formula: C12 H18 N4 O
• SMILES: O=C(NC(N1CCCCC1)c1ccncc1)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: 12.663 ± 0.0017 Å
• b: 33.528 ± 0.004 Å
• c: 12.2027 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5180.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No