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π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis
A new cocrystal hydrate of gallic acid with pyrazine (4GA, Py, 4H(2)O; GA(4)PyW(4)) was obtained and characterized by single crystal X-ray diffraction. In addition to structure determination, experimental charge density analysis was carried out in terms of Multipole Modelling (MP), X-ray wavefunctio...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9004022/ https://www.ncbi.nlm.nih.gov/pubmed/35411861 http://dx.doi.org/10.1107/S2052520622001457 |