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Crystal landscape in the orcinol:4,4′-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters

Polymorphism in the orcinol:4,4′-bipyridine cocrystal system is analyzed in terms of a robust convergent modular phenol⋯pyridine supramolecular synthon. Employing the Synthon Based Fragments Approach (SBFA) to transfer the multipole charge density parameters, it is demonstrated that the crystal land...

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Main Authors: Dubey, Ritesh, Pavan, Mysore S., Guru Row, Tayur N., Desiraju, Gautam R
Format: Artigo
Jezik:Inglês
Izdano: International Union of Crystallography 2013
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4104971/
https://ncbi.nlm.nih.gov/pubmed/25075315
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252513024421
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