Cryojet xl cooler

Single-crystal X-ray diffraction data were collected for crystals
of compounds 1 and 2 at 160 (1) K on a Rigaku
OD SuperNova/Atlas area-detector diffractometer using Cu Kα
radiation (λ = 1.54184 Å) from a micro-focus X-ray source
and an Oxford Instruments Cryojet XL cooler. The selected suitable
single crystals were mounted using polybutene oil on a flexible loop
fixed on a goniometer head and immediately transferred to the diffractometer.
Pre-experiment, data collection, data reduction, and analytical absorption
correction^{65 (link)} were performed with the program
suite CrysAlisPro, version 1.171.40.68a (Rigaku Oxford Diffraction,
England, 2019). Using Olex2,^{66 (link)} the structure
was solved with the SHELXT^{67 (link)} small-molecule
structure solution program, and it was refined with the SHELXL2018/3
program package^{68 (link)} by full-matrix least-squares
minimization on F². In compound 1, the substituted benzene was disordered over two sets of
positions (labeled A and B) with site-occupancy factors of 0.7764(19)
and 0.2236(19). All H atoms were placed in calculated positions (C–H
= 0.95–0.99 Å) and were constrained to ride on their parent
atoms, with U_iso(H) = 1.2U_eq(C). The PLATON program was used to check the results
of the X-ray analysis.^{69 (link)} Crystal packing
and molecular dimers were produced using the MERCURY program.^{70 (link)}