Packing Rearrangements in 4-Hydroxycyanobenzene Under Pressure.

ABSTRACT: 4-hydroxycyanobenzene (4HCB) is a dipolar molecule formed of an aromatic substituted benzene ring with the CN and OH functional groups at the 1 and 4 positions. In the crystalline state, it forms spiral chains via hydrogen bonding, which pack together through π - π interactions. The direct stacking of benzene rings down the a- and b-axes and its π - π interactions throughout the structure gives rise to its semiconductor properties. Here, high-pressure studies are conducted on 4HCB in order to investigate how the packing and intermolecular interactions, related to its semiconductor properties, are affected. High-pressure single-crystal X-ray diffraction was performed with helium and neon as the pressure-transmitting mediums up to 26 and 15 GPa, respectively. The pressure-dependent behaviour

SUBMITTER: Collings IE 

PROVIDER: S-EPMC6539840 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature