Information card for entry 7103325

Structure parameters

• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• SMILES: O=C(NC(C(=O)N)c1ccccc1)c1ccccc1
• Title of publication: Direct, facile synthesis of N-acyl-alpha-amino amides from alpha-keto esters and ammonia.
• Authors of publication: Ntaganda, Rukundo; Milovic, Tamara; Tiburcio, Jorge; Thadani, Avinash N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4052 - 4054
• a: 18.101 ± 0.004 Å
• b: 7.1667 ± 0.0014 Å
• c: 20.677 ± 0.004 Å
• α: 90°
• β: 101.16 ± 0.03°
• γ: 90°
• Cell volume: 2631.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No