CCDC deposit number | 1817604 |
Formula, M, Z | C14 H13 Br N2 O2, 321.17, 4 |
Space group | Triclinic, \({\text{P}}\bar{1}\) |
Lattice | a = 11.1458(7), b = 11.6337(3), c = 12.7221(9) Å, |
α = 112.075(2), β = 105.637(2), γ = 103.793(2) | |
θ range | 1.88 to 29.09° |
Reflections | 18,366 collected/6297 unique [R(int) = 0.0414] |
Crystal | colorless, 0.20 × 0.13 × 0.12 mm |
Data/parameters | 6297/357 |
R indices [I > 2σ(I)] | R1 = 0.0451, wR2 = 0.0968 |
R indices (all data) | R1 = 0.1012, wR2 = 0.1068 |
Δρ Fourier residuals | 0.55/−0.33 e.Å−3 |