Temperature-dependent structure of 1-propanol/water mixtures: X-ray diffraction experiments and computer simulations at low and high alcohol contents

•Systematic X-ray diffraction studies over the entire concentration range, from room temperature down to the freezing point.•Molecular dynamics simulations with OPLS/AA, TIP4P2005 and SPC/E potentials for interpreting experimental data.•Detailed description of the H-bonded network: H-bond numbers, cluster size distributions, ring statistics.•H-bonded network is percolating for xP ≤ 0.71 at all examined temperature and for xP = 0.89 at T ≤ 273 K.•5-fold rings are the most frequent cyclic entities for xP ≥ 0.2.