Single-crystal X-ray diffraction dataset for 2,6-diaminopurine dithymine dihydrate

The crystals of the title compound were obtained by heating a solution of 2,6-diaminopurine and thymine in distilled water and slow evaporation of the solvent.

Single needle crystal was selected and mounted with paratone-N oil to the MiTiGen micro-mount. The crystal was kept at 100.00(12) 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 1209 frames were collected in 23 runs using ω scan; rotation width of 1.0° and exposure time in the range of 5 - 30 seconds.