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Phenol hemihydrate: redetermination of the crystal structure by neutron powder diffraction, Hirshfeld surface analysis and characterization of the thermal expansion

Phenol hemihydrate, C(5)H(5)OH·0.5H(2)O, crystallizes in the space group Pbcn, Z = 8. The previously published crystal structure [CSD refcode PHOLHH; Meuthen & von Stackelberg (1960 ▸). Z. Elektrochem. 64, 387–390] is shown to be incorrect. Pairs of phenol mol­ecules, related by an inversion cen...

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Detalles Bibliográficos
Autor principal: Fortes, A. Dominic
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7336780/
https://www.ncbi.nlm.nih.gov/pubmed/32695453
http://dx.doi.org/10.1107/S2056989020007719