Meso-(1S*,21R*)-25-Methyl-8,11,14-trioxa-22,24,25-triaza-tetra-cyclo-[19.3.1.0(2,7).0(15,20)]penta-cosa-2,4,6,15(20),16,18-hexa-ene-23-thione chloro-form monosolvate.

ABSTRACT: The title compound crystallizes as a chloro-form solvate, C(20)H(23)N(3)O(3)S·CHCl(3), with two crystallographically independent units. The independent units have distinctly different inter-action patterns between the aza-crown macrocycle and the chloro-form solvent mol-ecule. In one of them, the chloro-form mol-ecule forms C-H?N and Cl?H-C hydrogen bonds with the aza-crown macrocycle (as a proton donor and an acceptor, respectively), whereas in the other, one of the chloro-form mol-ecules is bound to the aza-crown macrocycle by an attractive Cl?O [3.080?(3)?Å] inter-action. The aza-crown macrocycles of different units are structurally similar; the aza-14-crown-3-ether ring adopts a bowl conformation with dihedral angles between the planes of the fused benzene rings of 60.7?(1) and 68.0?(1)°. The triazinane-thione ring in both cases has a sofa conformation. The crystal packing is characterized by N-H?S, N-H?O, C-H?Cl and C-H?S hydrogen bonds.

SUBMITTER: Hieu TH 

PROVIDER: S-EPMC3470208 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature