4a | 5a | |
---|---|---|
Molecular formula | C15H18N2O3 | C16H20N2O3 |
Formula weight | 274.31 | 288.34 |
Crystal system | Orthorhombic | Triclinic |
Space group | P212121 | P1 |
Unit cell dimensions | a = 10.0002 (2) Å | a = 5.1016 (2) Å, α = 83.188 (2)° |
b = 11.7485 (2) Å | b = 8.8474 (3) Å, β = 81.358 (3)° | |
c = 11.9183 (2) Å | c = 16.9672 (5) Å, γ = 83.745 (3)° | |
Volume | 1400.25 (4) Å3 | 748.54 (4) Å3 |
Z, Calculated density | 1.301 g cm−3 | 1.279 g cm−3 |
F(000) | 584 | 308 |
Crystal size | 0.82 × 0.67 × 0.43 mm | 0.43 × 0.25 × 0.23 mm |
θ range for data collection | θmax = 71.8°, θmin = 5.3° | θmax = 65.0°, θmin = 2.7° |
Limiting indices | −12 < =h < =12, −12 < =k < =14, −13 < =l < =14 | −4 < =h < =5, −10 < =k < =10, −19 < =l < =19 |
Reflections collected/unique | 9719/2682 [Rint = 0.021] | 8120/ 2453 [Rint = 0.111] |
Completeness | to theta 71.6 = 98.8% | to theta 65.0 = 96.8% |
Absorption correction | multi-scan SADABS Bruker 2009 | multi-scan SADABS Bruker 2009 |
Refinement method | Full-matrix least-squares on F2 | Full-matrix least-squares on F2 |
Goodness-of-fit on F 2 | 1.03 | 1.64 |
CCDC number | 943007 | 945756 |