Information card for entry 2231161

Structure parameters

• Chemical name: 1-[3-(Hydroxymethyl)phenyl]-3-phenylurea
• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• SMILES: c1(ccccc1)NC(=O)Nc1cccc(c1)CO
• Title of publication: 1-[3-(Hydroxymethyl)phenyl]-3-phenylurea
• Authors of publication: Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2094
• a: 14.6207 ± 0.0008 Å
• b: 7.0692 ± 0.0004 Å
• c: 12.4019 ± 0.0005 Å
• α: 90°
• β: 109.818 ± 0.003°
• γ: 90°
• Cell volume: 1205.9 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes