Single-crystal X-ray diffraction dataset for isoguanine hydrochloride

The title compound was obtained by heating a solution of isoguanine in distilled water with addition of few drops of 1M hydrochloric acid solution. Crystals were obtained by slow evaporation of the solvent. Single crystals were selected and mounted with paratone-N oil to the MiTiGen micro-mount. The crystals were kept at 100.00(10) K during diffraction data collection on the Rigaku Oxford Diffraction (former Agilent Technologies) SuperNova four-circle diffractometer with CuKα radiation and Atlas detector. The temperature was controlled with an Oxford Cryosystems low-temperature nitrogen gas-flow device (Cryostream Plus). The crystal was positioned at 74 mm from the detector. A total of 5060 frames were collected in 49 runs using ω scan; rotation width of 1.0° and exposure time in the range of 1 - 5 seconds. The determination of unit cell parameters, integration of reflection intensities, and data reduction, including multiscan absorption correction, were performed using CrysAlis PRO Version 1.171.37.34. The crystal appeared to be twinned. The dataset cotains raw frames and associated files collected during X-ray measurements, the data processing results and final structure model.