Information card for entry 7204408

Structure parameters

• Common name: 2-phenyl-1,2,3,4-tetrahydroquinazoline
• Chemical name: 2-phenyl-1,2,3,4-tetrahydroquinazoline
• Formula: C14 H14 N2
• Calculated formula: C14 H13 N2
• SMILES: N1c2ccccc2CNC1c1ccccc1
• Title of publication: Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines
• Authors of publication: Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.
• Journal of publication: Green Chemistry
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 245
• a: 9.436 ± 0.0005 Å
• b: 10.4454 ± 0.0005 Å
• c: 12.0165 ± 0.0008 Å
• α: 99.837 ± 0.002°
• β: 98.858 ± 0.002°
• γ: 101.754 ± 0.004°
• Cell volume: 1120.4 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No