The reaction between Bu(n)Li in benzene and the solid polystyrene support PS-C6H4CH2NH2 leads to a lithiated species that can be represented as PS-C6H4CH2NHLi(LiBu)x, where x approximately 4, which is active in the ring-opening of the cyclic esters L-lactide, rac-lactide, and 2,5-morpholinediones. With approximately 10 eq of these monomeric six-membered rings and with heating, cyclic esters (Me...

In this paper, a detailed study of the local aromaticity in a series of cyclopenta-fused linear polyacenes (acenaphthylene derivatives) was performed using several different criteria of aromaticity. Namely, the energy effect (ef), bond resonance energy (BRE), harmonic oscillator model of aromaticity (HOMA) index, multi centre delocalization indices (MCI), electron density at ring critical point...

In the centrosymmetric title compound, C(18)H(12)N(2)S(24), the five- (r.m.s. deviation = 0.002 Å) and six-membered (r.m.s. deviation = 0.002 Å) rings are essentially coplanar [dihedral angle between rings = 1.9 (1)°].

In the title compound, C(23)H(26)O(4), there is a dihedral angle of 83.7 (6)° between the two benzene rings. The five-membered rings have chair conformations.

In the title compound, [Ni(3)(PO(4))(2)(H(2)O)(8)](n), which was synthesized hydro-thermally, all the Ni atoms are located in slightly distorted octa-hedral coordination environments. Two phosphate groups and two Ni atoms share a centrosymmetric four-membered ring and an eight-membered ring such that the four-membered ring is inside the eight-membered ring. The eight-membered rings are connecte...

Convergent routes to various classes of lactams exploiting the unique radical chemistry xanthates are described. Emphasis is placed on reactions leading by direct cyclization, intermolecular additions alkenes followed ring closure, and furnishing amino esters acids precursors that can be converted into ionic condensations. The possibility modifying existing lactam structures briefly discussed. ...

The title compound, C16H24O3, is built up from three fused rings, a six-membered, a seven-membered and a three-membered ring. The absolute configuration of the title compound was determined as (1R,3S,8R,11R) based on the synthetic pathway. The six-membered ring has an half-chair conformation whereas the seven-membered ring displays a boat conformation. In the cyrstal, C-H⋯O hydrogen bonds build...

Hydrogen has the potential to be an alternative source of energy. However, most research on hydrogen storage carried out in past is based low temperature (<80 K) whereas near room desired. Here, we report room-temperature capacity defective single-walled carbon nanotubes (SWCNT) investigated using molecular dynamics simulations and density functional theory. Four different types SWCNTs are cons...

In the title mol-ecule, C(28)H(44)O, two six-membered rings have regular chair conformations, while the six-membered ring containing the C=C double bond exhibits a distorted chair conformation. The five-membered ring adopts an envelope conformation. In the crystal, weak inter-molecular C-H⋯O inter-actions link mol-ecules into chains along the b axis. The absolute configuration was assigned to c...

In the title compound, C26H22N2O, one phenyl ring, one five-membered N-heterocyclic ring and one six-membered carbocyclic ring make up the hexa-hydro-benzo[f]iso-indole core. Another phenyl group is attached to the heterocyclic N atom as a substituent. The non-aromatic five- and six-membered rings both exhibit boat conformations. In the crystal, weak C-H⋯O and C-H⋯N inter-actions establish the ...