RESUMO
In the crystal structure of the title compound, C(9)H(8)F(3)N(3)S, all atoms except for two of the F atoms are located on a mirror plane. In the crystal, the molecules are connected by N-Hâ¯S hydrogen bonds, forming a mol-ecular tape along the a axis.
RESUMO
The weak inclusion complex of cyclomaltoheptaose (beta-cyclodextrin, betaCD) with p-nitrobenzoic acid was investigated in the solid state. Crystallography shows that two betaCD molecules co-crystallize with two p-nitrobenzoic acids and 28.5 water molecules [2(C(42)H(70)O(35))x2(C(7)H(5)NO(4))x28.5H(2)O] in the triclinic system.
Assuntos
Ciclodextrinas/química , Nitrobenzoatos/química , Cristalografia por Raios X , Dimerização , Modelos Moleculares , Conformação MolecularRESUMO
An inclusion complex formed by beta-cyclodextrin and quinine has been investigated in solution and in the solid state, in which the quinoline ring and the aliphatic ring locate in different hydrophobic cavities, respectively. The study on the inclusion geometry and weak interactions shows that the difference in conformation for this complex is a result of three main packing arrangement considerations, which can provide an ideal model mimicking enzyme-substrate interactions.
Assuntos
Materiais Biomiméticos/química , Materiais Biomiméticos/metabolismo , Quinina/química , Quinina/metabolismo , beta-Ciclodextrinas/química , Ligação de Hidrogênio , Modelos Moleculares , Conformação Molecular , Especificidade por SubstratoRESUMO
The mono-modified beta-cyclodextrin derivative, 6(I)-O-(3-nitrophenyl)cyclomaltoheptaose{mono[6-O-(3-nitrophenyl)]-beta-cyclodextrin} was synthesized, and its crystal structure was determined by single-crystal X-ray analysis. The crystal structure suggests that the 3-nitrophenyl substituent group is inserted into the adjacent beta-cyclodextrin cavity from the secondary hydroxyl side, and the molecules are stacked along the twofold screw axis to form an infinite one-dimensional polymeric chain.