Synthesis, structure, and theoretical studies of a calcium complex of a unique dianion derived from 1-methyl-pyrrolidin-2-one.

ABSTRACT: The title compound, catena-poly[[tetra-kis-(1-methyl-pyrrolidin-2-one-κO)calcium(II)]-μ-(E)-1,1'-dimethyl-2,2'-dioxo-1,1',2,2'-tetra-hydro-[3,3'-bipyrrolyl-idene]-5,5'-bis-(thiol-ato)-κ² O:O'], [Ca(C₁₀H₈N₂O₂S₂)(C₅H₉NO)₄] _n , 1, crystallizes in the triclinic space group P . The crystal studied was twinned by non-merohedry via two different twofold operations, about the normals to (001) and (10), giving four twin domains with refined occupancies of 0.412 (4), 0.366 (4), 0.055 (1), 0.167 (4). The Ca atoms are located on centers of inversion. Each Ca is surrounded by four 1-methyl-pyrrolidin-2-one (NMP) ligands and coordina

SUBMITTER: Butcher RJ 

PROVIDER: S-EPMC7784048 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature