Information card for entry 7218442

Structure parameters

• Chemical name: N-(3-phenyl-2-p-tolyl-3,4-dihydroquinazolin-4-yl)benzamide
• Formula: C28 H23 N3 O
• Calculated formula: C28 H23 N3 O
• SMILES: c12ccccc1C(N(C(=N2)c1ccc(cc1)C)c1ccccc1)NC(=O)c1ccccc1
• Title of publication: C-N and C-P bond formation via cross dehydrative coupling reaction: an efficient synthesis of novel 3,4-dihydroquinazolines
• Authors of publication: Reddy, Kallu Rajender; Saidulu, G.; Kumar, R. Arun; Anitha, T.; Srinivasulu, A.; Balasubramanian, Sridhar; Liu, Shiuh-Tzung
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.6039 ± 0.0008 Å
• b: 10.793 ± 0.0008 Å
• c: 11.0137 ± 0.0008 Å
• α: 100.245 ± 0.001°
• β: 111.738 ± 0.001°
• γ: 101.524 ± 0.001°
• Cell volume: 1102.46 ± 0.14 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No