Information card for entry 2210287

Structure parameters

• Chemical name: 1-[(2-Hydroxynaphthalen-1-yl)(phenyl)methyl]-3-methylurea
• Formula: C19 H18 N2 O2
• Calculated formula: C19 H18 N2 O2
• SMILES: CNC(=O)NC(c1c(ccc2ccccc12)O)c1ccccc1
• Title of publication: 1-[(2-Hydroxynaphthalen-1-yl)(phenyl)methyl]-3-methylurea
• Authors of publication: Bazgir, Ayoob; Amani, Vahid; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3875 - o3876
• a: 9.463 ± 0.002 Å
• b: 16.55 ± 0.003 Å
• c: 10.607 ± 0.002 Å
• α: 90°
• β: 107.191 ± 0.016°
• γ: 90°
• Cell volume: 1587 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes