Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing

Panini, P.; Venugopala, K.N.; Odhav, B.; Chopra, D.

doi:10.1107/S2052520614006209

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 9
R/E plots for B and B·H₂O. (a) Total PIXEL energy versus centroid distance. (b) Coulombic energy versus centroid distance. (c) Dispersion energy versus centroid distance. (e) Sum of polarization, dispersion and repulsion energies versus centroid distance. The total number of data points in the plot are 145 for B and 115 for B·H₂O.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 70| Part 4| July 2014| Pages 681-696

doi:10.1107/S2052520614006209

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