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Conformational polymorphism in a cobalt(II) dithiocarbamate complex
Author(s) -
Songkerdthong Jetnipat,
Harding Phimphaka,
Harding David J.
Publication year - 2020
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s205322962001164x
Subject(s) - dithiocarbamate , cobalt , polymorphism (computer science) , chemistry , stereochemistry , crystallography , medicine , biochemistry , genotype , inorganic chemistry , organic chemistry , gene
Two conformational polymorphs of ( N , N ‐dibutyldithiocarbamato‐κ 2 S , S ′)[tris(3,5‐diphenylpyrazol‐1‐yl‐κ N 2 )hydroborato]cobalt(II), [Co(C 45 H 34 BN 6 )(C 9 H 18 NS 2 )] or [Tp Ph2 Co(S 2 CNBu 2 )], 1 , are accessible by recrystallization from dichloromethane–methanol to give orthorhombic polymorph 1a , while slow evaporation from acetonitrile produces triclinic polymorph 1b . The two polymorphs have been characterized by IR spectroscopy and single‐crystal X‐ray crystallography at 150 K. Polymorphs 1a and 1b crystallize in the orthorhombic space group Pbca and the triclinic space group P , respectively. The polymorphs have a trans ( 1a ) and cis ( 1b ) orientation of the butyl groups with respect to the S 2 CN plane of the dithiocarbamate ligand, which results in an intermediate five‐coordinate geometry for 1a and a square‐pyramidal geometry for 1b . Hirshfeld surface analysis reveals minor differences between the two polymorphs, with 1a exhibiting stronger C—H…S interactions and 1b favouring C—H…π interactions.