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• W2045151014 startingPage "8462" @default.
• W2045151014 abstract "In-depth examinations of the Cambridge Structural Database (CSD) for D–H⋯phenyl supramolecular contacts (with D = C, N, O) have been made. Careful analyses of the data found in a 5 Å high and 10 Å wide hemisphere around the phenyl plane reveal that for D = C or N, the CSD hits are preferentially located above the ring, thus indicating that C–H⋯πphenyl and N–H⋯πphenyl interactions are preferentially taking place. In contrast, for D = O, the CSD hits cluster near the periphery of the phenyl ring, suggesting that the O–H moiety rather acts as hydrogen-bond acceptor (the phenyl unit behaving as a hydrogen-donor group in this case). These findings are confirmed by inspection of the vertical region (d) above the ring centroid (r = 0–1 Å), as Gaussian-shaped plots are observed for D = C (maximum at d = 2.90 Å) and D = N (maximum at d = 2.55 Å) while the hits are randomly distributed for D = O." @default.
• W2045151014 created "2016-06-24" @default.
• W2045151014 creator A5047756003 @default.
• W2045151014 creator A5070301272 @default.
• W2045151014 date "2012-01-01" @default.
• W2045151014 modified "2023-10-16" @default.
• W2045151014 title "How directional are D–H⋯phenyl interactions in the solid state (D = C, N, O)?" @default.
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• W2045151014 doi "https://doi.org/10.1039/c2ce26205c" @default.
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