Table 1 Crystal data and structure refinement for C₁₄ H₁₃ Br N₂ O₂

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