Solvent inclusion in the structural voids of form II carbamazepine: single-crystal X-ray diffraction, NMR spectroscopy and Hirshfeld surface analysis

Effects of Moisture and Residual Solvent on the Phase Stability of Orthorhombic Paracetamol

“…We have to admit that the mechanism of residual solvent inclusion in pharmaceuticals is not a very well explored area (32). In order to get this issue under control we need to know whether the solvent is part of the crystal structure (33,34), present in amorphous or low ordered regions or mainly physically entrapped in voids/defects (liquid inclusions) of the crystals (35). It is obvious that the knowledge of the crystal structure is very helpful for such an evaluation.…”

Tyrosine alkyl esters as prodrug: the structure and intermolecular interactions of l-tyrosine methyl ester compared to l-tyrosine and its ethyl and n-butyl esters

“…The analysis of molecular interactions in a crystal through Hirshfeld surfaces is increasingly used for solid-state characterization of pharmaceutical materials [34][35][36][37][38][39][40][41][42]. Hirshfeld surface calculations were performed with Crystal Explorer [43] and experimental crystal geometries as input.…”

A dinuclear oxo-bridged Fe(III) complex with tris(2-pyridylmethyl) amine: Structure and Hirshfeld surface analysis

“…The contributions of CÁ Á ÁH interactions varies from 10.70% in GU-CHIV [60] to 19.10% in WIHSAH [47] whereas OÁ Á ÁH interactions varies from 0.00% in TINRIS [63] to 53.10% in GUCHIV [60] and can be attributed to different supramolecular synthons, leading to diverse crystal packing arrangements. Finally, this example underlines the utility of Hirshfeld surfaces and in particular, fingerprint-plot analysis for the ''visual screening'' and rapid detection of unusual crystal structure features [85] through a ''whole structure'' view of intermolecular interactions [75].…”