2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra-aza-penta-cyclo-[24.2.1.1.0.0]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca-ene chloro-form disolvate.

ABSTRACT: The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro-gen 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 thio-phene ring. The dihedral angle between the thio-phene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6?(1)°. Four intra-molecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitro-gen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thio-phene. The two solvate chloro-form mol-ecules are bound to the carbonyl oxygen atoms of the ligand by weak C-H?O hydrogen bonding. In addition, the structure reveals inter-molecular Cl?Cl close contacts [3.308?(2), 3.404?(2) and 3.280?(2)?Å] between the chloro-form solvate mol-ecules. In the crystal, the macrocycles form layers parallel to (101), with an inter-layer distance of 3.362?(3)?Å. This short distance is determined by the stacking inter-actions between the amide carbonyl and imine fragments of neighboring ligands.

SUBMITTER: Askerov RK 

PROVIDER: S-EPMC2983673 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature