Information card for entry 4021312

Structure parameters

• Formula: C16 H15 N3 O2
• Calculated formula: C16 H15 N3 O2
• SMILES: C1(=C2C(=O)N(c3ccccc23)C(=O)C)NC(=CC(C)=N1)C
• Title of publication: Stereoselectivity and Regioselectivity in Nucleophilic Ring Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine. Unpredicted Dimerization and Ring Transformation. Syntheses of Derivatives of Pyrimidinylmethylamine, Pyrimidinylmethylamino Acid Amides, and α-Amino-2-pyrimidinylacetamides
• Authors of publication: Gury Zvilichovsky; Isra Gbara-Haj-Yahia
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4966 - 4973
• a: 8.73 ± 0.002 Å
• b: 8.983 ± 0.003 Å
• c: 9.277 ± 0.003 Å
• α: 91.259 ± 0.005°
• β: 113.66 ± 0.004°
• γ: 99.146 ± 0.005°
• Cell volume: 655 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No