File Name : fig.s1.tif

Caption : fig.s1 pxrd overlapped of prepared pra-hcl with its simulated pattern

File Name : fig.s2.tif

Caption : fig.s2 dsc plot of form i (melting point 170 oc) and pra-hcl (melting point 109 oc)

File Name : fig.s3.tif

Caption : fig.s3 interactions between the molecules that are held together through hydrogen bonds in the crystal lattice of paracetamol hydrochloride monohydrate salt (cambridge crystallographic database (csd) reference code is latbuf)

File Name : fig.s4.tif

Caption : fig.s4 optimized geometry of the ground state of the form i using wb97x-d level of theory 

File Name : fig.s5.tif

Caption : fig.s5.optimized geometry of the ground state of the form i using m062x level of theory

File Name : fig.s6.tif

Caption : fig.s6 experimental and calculated ft-ir absorbance spectra for form i in the region 400-3800 cm-1

File Name : fig.s7.tif

Caption : fig.s7.experimental and calculated ft-raman spectra for form i in the region 100-3800 cm-1

File Name : fig.s8.tif

Caption : fig.s8. hydrogen bonding pattern in pra-hcl (i) and form i (ii)

File Name : fig.s9.tif

Caption : fig.s9 molecular graph of pra-hcl using wb97x-d/6-311++g (d, p) (i) and m062x/6-311++g (d, p) (ii) method: bond critical points (small red spheres), ring critical points (small yellow sphere), bond paths (pink lines).

File Name : fig.s10.tif

Caption : fig.s10 homo-lumo energy gap of form i calculated at wb97x-d (i) and m062x (ii) level of theory.

File Name : fig.s11.tif

Caption : fig.s11 molecular electrostatic potential (mep) formed by mapping of total density over electrostatic potential in the gas phase for the form i using wb97x-d (i) and m062x (ii) level of theory.

File Name : fig.s12.tif

Caption : fig.s12 molecular electrostatic potential (mep) formed by mapping of total density over electrostatic potential in the gas phase for the pra-hcl using wb97x-d (i) and m062x (ii) level of theory