Information card for entry 2216738

Structure parameters

• Chemical name: 6-Methyl-3-p-tolyl-3,4-dihydroquinazoline
• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• SMILES: N1(Cc2cc(C)ccc2N=C1)c1ccc(cc1)C
• Title of publication: 6-Methyl-3-<i>p</i>-tolyl-3,4-dihydroquinazoline
• Authors of publication: Tian, Wen-Wen; Dong, Su-Lan; Xu, Jia-Ying; Ding, Shan; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4734 - o4734
• a: 6.2745 ± 0.0007 Å
• b: 14.6008 ± 0.0015 Å
• c: 14.0154 ± 0.0011 Å
• α: 90°
• β: 94.39 ± 0.03°
• γ: 90°
• Cell volume: 1280.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes