stability of the π-π stacking interactions in the ben||substituted-coronene and hfben||substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben and hfben are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four x groups, and x= nh2, ch3, oh, h, f, cf3, cn and no). ...

The molecular and crystal structure of the title compound, (C 8 H 11 N 4 O 2 ) [PtCl 6 ], synthesized from hexachloroplatinic acid caffeine in methanol, was studied by single-crystal X-ray diffraction. caffeinium cations form a double layer via hydrogen bonds π-stacking interactions. Hirshfeld surface analysis showed that largest contribution to packing is made H...H (31.2%), H...Cl/Cl...H (22....

A new class of solution-processable small molecule organic semiconductors that are capable functioning at low operating voltages (?6 V) have been developed and their structure–activity correlation has studied using crystallographic analyses.

The L4 molecular chirality can be amplified to a supramolecular scale by coassembling with SDS. Further incorporation of the CB[8] leads inversion via change from lamellar structure L4/SDS rectangular stacking in L4/SDS/CB[8].

Similar to the larger members of the cucurbituril family, such as cucurbit[8]uril (Q[8]), the smallest member, cucurbit[5]uril (Q[5]), can also induce room-temperature phosphorescence (RTP) of α-naphthol (1) and β-naphthol (2). The relationship between the RTP intensity of 1 and 2 and the concentration of Q[5] or Q[8] suggests that the mechanism underlying the Q[5] complex-induced RTP is differ...

Stability of the π-π stacking interactions in the Ben||substituted-coronene and HFBen||substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben and HFBen are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four X groups, and X= NH2, CH3, OH, H, F, CF3, CN and NO). ...

In 2-amino-4,6-dimethoxy-5-nitropyrimidine, C(6)H(8)N(4)O(4), the molecules are linked by one N-H...N and one N-H...O hydrogen bond to form sheets built from alternating R(2)(2)(8) and R(6)(6)(32) rings. In isomeric 4-amino-2,6-dimethoxy-5-nitropyrimidine, C(6)H(8)N(4)O(4), which crystallizes with Z' = 2 in P-1, the two independent molecules are linked into a dimer by two independent N-H...N hy...

stability of the ;-; stacking interactions in the substituted-coronene||cyclooctatetraene complexes wasstudied using the computational quantum chemistry methods (where || denotes ;–; stackinginteraction, and substituted-coronene is coronene which substituted with four similar x groups; x =oh, sh, h, f, cn, and no). there are meaningful correlations between changes of geometricalparameters and t...