Information card for entry 7218443

Structure parameters

• Chemical name: N-(3-phenyl-2-p-tolyl-3,4-dihydroquinazolin-4-yl)acetamide
• Formula: C23 H21 N3 O
• Calculated formula: C23 H21 N3 O
• SMILES: c12ccccc1C(N(C(=N2)c1ccc(cc1)C)c1ccccc1)NC(=O)C
• 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: 9.3171 ± 0.0012 Å
• b: 15.39 ± 0.002 Å
• c: 13.1098 ± 0.0017 Å
• α: 90°
• β: 92.604 ± 0.002°
• γ: 90°
• Cell volume: 1877.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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 all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No