101 research outputs found
Main group metal lone-pair⋯π(arene) interactions: a new bonding mode for supramolecular associations
Crystal structures of the heavier main group elements in low oxidation states have been evaluated for the
presence of supramolecular elementIJlp)⋯π(arene) interactions that are structure-directing. It is revealed
that when present, these interactions lead to zero-dimensional, binuclear aggregates but higher-nuclearity
species are sometimes observed, with one-dimensional supramolecular chains of varying topology being
prominent. By contrast, two-dimensional aggregation based on elementIJlp)⋯π(arene) interactions are rare.
In summary, interactions of main group metal lone-pairs with aromatic rings are revealed as synthons capable
of assembling molecules into supramolecular aggregates
Crystal structure of 5-(1,3-dithian-2-yl)-2H-1,3-benzodioxole
We thank Professor Regina H. A. Santos from IQSC–USP for the X-ray data collection. The Brazilian agencies CNPq (305626/2013-2 to JZS, 306121/2013-2 to IC and 308320/2010-7 to HAS), FAPESP (2012/00424-2 and 2013/21925-2) and CAPES are acknowledged for financial support.Peer reviewedPublisher PD
1-[(Z)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene
The TeII atom in the title molecule, C12H19ClTe, is coordinated in a V-shaped geometry by C atoms derived from the disparate organic substituents. A short intramolecular C—H⋯Cl contact occurs owing to the proximity of the ethene bond in the six-membered ring to the Cl atom. In the crystal, molecules assemble into layers parallel to the ac plane, with the closest interactions between them being of the Te⋯Te type [3.9993 (16) Å]
Crystal structure of [(2R,3R,4S)-3,4-bis-(acetyloxy)-5-iodo-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Acknowledgements We thank Professor Regina H. A. Santos from IQSC–USP for the X-ray data collection. The Brazilian agencies CNPq (305626/2013–2 to JZS; 306121/2013-2 to IC; 308320/2010-7 to HAS) and FAPESP are acknowledged for financial support.Peer reviewedPublisher PD
1-[(Z)-1-Bromo-2-(butyldichloro-λ4-tellanyl)ethenyl]cyclohex-1-ene
The TeIV atom in the title compound, [Te(C4H9)(C8H10Br)Cl2] or C12H19BrCl2Te, is in a distorted ψ-trigonal–bipyramidal geometry, with the lone pair of electrons projected to occupy a position in the equatorial plane, and with the Cl atoms being mutually trans [172.48 (4)°]. Close intramolecular [Te⋯Br = 3.3444 (18) Å] and intermolecular [Te⋯Cl = 3.675 (3) Å] interactions are observed. The latter lead to centrosymmetric dimers which assemble into layers in the bc plane. The primary connections between layers are of the type C—H⋯Cl
2,2,6-Trimethyl-5-[2-(4-methylphenyl)ethynyl]-4H-1,3-dioxin-4-one
The 1,3-dioxin-4-one ring in the title compound, C16H16O3, is in a half-boat conformation with the quaternary O—C(CH3)2—O atom lying 0.546 (1) Å out of the plane defined by the remaining five atoms. The crystal structure is consolidated by C—H⋯O contacts that lead to supramolecular layers
1-Benzoyl-5-phenyl-2-(propan-2-yl)-1,2,3,4-tetrahydropyrimidin-4-one
The tetrahydropyrimidinone ring in the title compound, C20H20N2O2, is in a half-boat conformation with the N—C—N C atom 0.580 (2) Å out of the plane defined by the remaining five atoms. In the crystal structure, molecules are connected into centrosymmetric dimers via N—H⋯O interactions. The dimeric aggregates are linked into supramolecular chains along the a axis via C—H⋯π interactions
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