Tetra-n-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement

Tetra-n-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement

The title hydrated molecular salt (systematic name: tetra-n-butylammonium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate monohydrate), C16H36N+·C5H3N2O4−·H2O, crystallizes with N—H...O and O—H...O hydrogen-bonded double-stranded antiparallel ribbons consisting of the hydrophilic orotate monoan...

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Bibliographic Details
Main Authors: Irene Ara, Zeineb Basdouri, Larry R. Falvello, Mohsen Graia, Pablo Guerra, Milagros Tomás
Format: Article
Language:English
Published: International Union of Crystallography 2019-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
orotate
hydrophobic–hydrophilic molecular ion pair
hirshfeld surface analysis
knowledge-based analysis
mogul geometry check
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019013380

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http://scripts.iucr.org/cgi-bin/paper?S2056989019013380

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