2-Aminopyrimidine-3,3,3-triphenyl- propanoic acid (1/1)

The title bimolecular compound, C4H5N3·C21H18O2, constructed from 2-aminopyrimidine and 3,3,3-triphenylpropanoic acid, forms a tetramolecular hydrogen-bonded motif via O—H...N, N—H...O and N—H...N contacts. This aggregate organizes to give crystal-packing motifs with hydrophilic and hydrophobic regions

Room temperature syntheses of entirely diverse substituted β-fluorofurans

Synthesis of highly substituted 3-fluorofurans is reported. The sequence began with preparation of tertbutyldimethylsilyl alk-1-en-3-yn-1-yl ethers from 1,4-disubstituted alk-3-yn-1-ones. Subsequent fluorination of alkenynyl silyl ethers with Selectfluor gave 2-fluoroalk-3-yn-1-ones in almost quantitative yield. Subsequent 5-endo-dig cyclizations using chlorotriphenylphosphine gold(I)/silver trifluoromethanesulfonate (5/5 mol%), N-bromo- or N-iodosuccinimide and gold(I) chloride/zinc bromide (5/20 mol%), all at room temperature, provided a facile method for the generation of substituted 3-fluoro-, 3-bromo-4-fluoro-, and 3-fluoro-4-iodofurans in good yields. Also, 2,2-difluoroalk-3-yn-1-ones were prepared by fluorination of alk-3-yn-1-ones under organocatalytic conditions. The structures of (Z)-tertbutyldimethylsilyl but-1-en-3-yn-1-yl ether, 3-bromo-4-fluorofuran, and 3-fluoro-4-(phenylethynyl)furan were confirmed by X-ray crystallography

N-(2-Aminobenzyl)-N,N-bis(quinolin- 2-ylmethyl)amine

The title new diquinaldine derivative, C27H24N4, forms mol­ecular assemblies organized by inter­molecular quinoline π–π stacking [3.356 (3) and 3.440 (3) Å] and both inter- and intra­molecular N—H⋯N hydrogen bonds [3.039 (3)–3.104 (3) Å and 129 (2)–172 (2)°]. The combination of such inter­actions provides readily definable contacts that propagate along each crystallographic axis

(±)-3-Carb­oxy-2-(imidazol-3-ium-1-yl)­propanoate

The title compound, C7H8N2O4, crystallizes as a zwitterion, with mol­ecules organized into mol­ecular sheets via carbox­yl–carboxyl­ate and N+—H⋯carboxyl­ate contacts. These sheets are constructed from translationally related mol­ecules that further link to neighboring motifs via π-stacking [centroid–centroid distance 3.504 (3) Å] and weak C—H⋯O contacts

Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisions

The transition state resonances of the title reactions have been studied on the accurate double many-body expansion (DMBE) potential energy surface for H3 using two-dimensional (2D) and three-dimensional (3D) time-dependent wave packet propagation methods. It is shown that the resonance energies are strongly associated with the vibrational threshold states of the molecular fragment obtained upon dissociation, both in the 2D and 3D calculations. However, although the two systems have the same threshold states, the resonance widths for the 2D D+HD collisions are found to be considerably narrower than for the 3D ones, while no such phenomenon is observed for H+DH. As a result, we have concluded that there is an apparent dimensional effect on the resonance widths of the heavy-light-heavy (HLH) reaction.http://www.sciencedirect.com/science/article/B6TGT-3Y6H16X-B/1/4253a179e22a333236b87dd9066f7e7

Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid

The supramolecular patterns of three polymorphs of a chiral sulfonamidecinnamic acid reveal components effectively organized into predetermined hydrogen-bonded dimers with favorable \u3c3.8A ° olefin spacing for enantioselective single-crystal-to-single-crystal [2 + 2] photodimerization reactions

A molecular salt of tricyanomethanide anion and a N,N9- dianisylphenazinium dication: cooperative affects of methoxy…methoxy and CMN…N+ intermolecular contacts

A molecular salt of tricyanomethanide anion and a N,N9- dianisylphenazinium dication forms extended supramolecular assemblies that consist of unusual methoxy…methoxy and CMN…N+ intermolecular contacts