Table 1 Crystal data and details of the structure solution and refinement

Emirical formula

C₁₅H₂₂ClNO₅

Formula weight

331.79

Temperature

210(2) K

Wavelength

0.71073 Å

Crystal system, space group

Triclinic, P

Unit cell dimensions

a = 7.5342(6) Å α = 97.624(7)°

b = 9.1935(8) Å β = 93.340(6)°

c = 12.8532(10) Å γ = 108.945(6)°

Volume

829.73(12) ų

Z, Calculated density

2, 1.328 g/cm^-3

Absorption coefficient

0.252 mm^-1

F(000)

352

Crystal size

1.5 × 0.6 × 0.15 mm

Θ range for data collection

1.61 to 25.0°

Reflections collected/unique

5361/2738

Refinement method

Full-matrix least-squares on F²

Data/restraints/parameters

2738/0/288

Goodness-of-fit on F²

1.001

R indices [I > 2σ(I); 2280]

R1 = 0.0423, wR2 = 0.1110

R indices (all data)

R1 = 0.0495, wR2 = 0.1147

Largest diff. Peak and hole

0.413 and -0.319 eÅ^-3