Same or different – that is the question: identification of crystal forms from crystal structure data

Abstract

The comparison of new structural data with crystal structures stored in the Cambridge Structural Database (CSD) is becoming ordinary when dealing with recognition and identification of new solid forms. Indeed,...

Supramolecular architectures sustained by delocalised C–I⋯π(arene) interactions in molecular crystals and the propensity of their formation

“…as temperature, can have an impact upon the geometric parameters defining weak, intermolecular interactions. 244,245 In this context and the above notwithstanding, it is worth mentioning a room temperature, variable-pressure study 246 of previously described 19, 88…”

The unexpected discovery of the ninth polymorph of tolfenamic acid

“…3) and of the crystal packing of TFA-IX with the CSD structures of tolfenamic acid (refcode family KAXXAI) confirmed that this crystal structure represents a true polymorph. 58 Detailed results of these comparisons can be found in the ESI. † Like all of the other eight polymorphs of this compound, the TFA molecules form R 2 2 (8) hydrogen-bonded dimers (Fig.…”

Characterising Supramolecular Architectures in Crystals Featuring I⋯Br Halogen Bonding: Persistence of X⋯X’ Secondary-Bonding in Their Congeners

“…The availability of several series of isostructural crystals prompted an evaluation of the geometric parameters defining the X• • • X' interactions. The analysis was restricted to crystal structure determinations carried out under the same experimental conditions in order to ensure, as much as possible, a valid comparison between the derived data for each series [86,87].…”