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2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate

The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro­gen and oxygen heteroatoms pointing in towards the center of the macrocyclic cavity. The macrocycle is essentially planar (r.m.s. deviation = 0.027 Å) except for the thio­phene ring. The dih...

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Detalles Bibliográficos
Autores principales: Askerov, Rizvan K., Roznyatovsky, Vladimir V., Katayev, Evgeny A., Maharramov, Abel M., Khrustalev, Victor N.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983673/
https://www.ncbi.nlm.nih.gov/pubmed/21580409
http://dx.doi.org/10.1107/S1600536810006173
Descripción
Sumario:The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro­gen and oxygen heteroatoms pointing in towards the center of the macrocyclic cavity. The macrocycle is essentially planar (r.m.s. deviation = 0.027 Å) except for the thio­phene ring. The dihedral angle between the thio­phene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6 (1)°. Four intra­molecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitro­gen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thio­phene. The two solvate chloro­form mol­ecules are bound to the carbonyl oxygen atoms of the ligand by weak C—H⋯O hydrogen bonding. In addition, the structure reveals inter­molecular Cl⋯Cl close contacts [3.308 (2), 3.404 (2) and 3.280 (2) Å] between the chloro­form solvate mol­ecules. In the crystal, the macrocycles form layers parallel to (101), with an inter­layer distance of 3.362 (3) Å. This short distance is determined by the stacking inter­actions between the amide carbonyl and imine fragments of neighboring ligands.