Journal ArticleDOI
C[sbnd]H[sbnd]O Hydrogen Bonding in Crystals
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TLDR
An overview of the early literature on C-H-O hydrogen bonding in the solid state is given in this article, where the structural characteristics and physical consequences of C-O-O bonds are described.Abstract:
An overview is given on C-H-O hydrogen bonding in the solid state Following a short survey of the early literature, the general properties of C-H-O bonding are discussed The structural characteristics and some physical consequences of C-H-O bonds are described A number of special systems are discussed in greater detail; these include water acceptors, inclusion complexes, and some biological structuresread more
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CH/π hydrogen bonds in organic and organometallic chemistry
TL;DR: Nishio et al. as discussed by the authors survey recent results relevant to the CH/π hydrogen bond: crystal conformation, packing and host/guest chemistry, and summarize the results obtained by crystallographic database (CSD and PDB) analyses.
Journal ArticleDOI
Molecular recognition in organic crystals : Directed intermolecular bonds or nonlocalized bonding?
Jack D. Dunitz,Angelo Gavezzotti +1 more
TL;DR: In this article, the authors compare interpretations based on the extension of Bader's atoms in molecules (AIM) theory to cover closed-shell intermolecular interactions with interpretation based on a new pixel method for the calculation of coulombic, polarization, dispersion, and repulsion energies from the electron density of molecular clusters.
Journal ArticleDOI
Hydrogen‐Bonding Thiourea Organocatalysts: The Privileged 3,5‐Bis(trifluoromethyl)phenyl Group
Katharina M. Lippert,K. Hof,Dennis Gerbig,David Ley,Heike Hausmann,Sabine Guenther,Peter R. Schreiner +6 more
TL;DR: In this paper, the authors present evidence that the privileged use of the 3,5-bis trifluoromethyl group in thiourea organocatalysis is due to the involvement of the ortho-CH bond in the binding event with Lewis-basic sites.
Journal ArticleDOI
Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M.
Andrey Kovalevsky,Yunfeng Tie,Fengling Liu,Peter I. Boross,Yuan-Fang Wang,Sofiya Leshchenko,Arun K. Ghosh,Robert W. Harrison,Irene T. Weber +8 more
TL;DR: The potent new antiviral inhibitor TMC-114 of HIV-1 protease (PR) has been studied with three PR variants containing single mutations D30N, I50V, and L90M, which provide resistance to the major clinical inhibitors.
Journal ArticleDOI
Oxyanion hole stabilization by C-H···O interaction in a transition state--a three-point interaction model for Cinchona alkaloid-catalyzed asymmetric methanolysis of meso-cyclic anhydrides.
Hui Yang,Ming Wah Wong +1 more
TL;DR: Through DFT calculations, it is shown that asymmetric methanolysis of meso-cyclic anhydrides (AMMA) catalyzed by a class of cinchona alkaloid catalysts involves an oxyanion hole consisting of purely C-H functionality, and is the key reason for the catalyst to adopt the gauche-open conformation in the transition state.
References
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Journal ArticleDOI
Supramolecular Synthons in Crystal Engineering—A New Organic Synthesis
TL;DR: In this article, the authors show that crystal engineering is a new organic synthesis, and that rather than being only nominally relevant to organic chemistry, this subject is well within the mainstream, being surprisingly similar to traditional organic synthesis in concept.
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Encoding and decoding hydrogen-bond patterns of organic compounds
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Graph-set analysis of hydrogen-bond patterns in organic crystals
TL;DR: A method is presented based on graph theory for categorizing hydrogen-bond motifs in such a way that complex hydrogen- bond patterns can be disentangled, or decoded, systematically and consistently.
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Crystallographic evidence for the existence of CH.cntdot..cntdot..cntdot.O, CH.cntdot..cntdot..cntdot.N and CH.cntdot..cntdot..cntdot.Cl hydrogen bonds
Robin Taylor,Olga Kennard +1 more