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Crystal structure of [3-(4,5-di-hydro-1,3-thia-zolin-2-yl-?N)-1,3-thia-zolidine-2-thione-?S (2)](1,3-thia-zol-idine-2-thione-?S (2))copper(I) nitrate.


ABSTRACT: The mononuclear complex salt, [Cu(C3H5NS2)(C6H8N2S3)]NO3, contains a [C9H13CuN3S5](+) cation and an NO3 (-) anion. All of the non-H atoms of the cation lie on a mirror plane, as do the N and one O atom of the nitrate anion, such that the planes of the cation and anion are mutually orthogonal. The cationic complex adopts a slightly distorted trigonal-planar geometry about the Cu(I) cation. In the crystal, layers parallel to (010) are generated by N-H?O hydrogen bonds, supported by short S?O [3.196?(4) and 3.038?(3)?Å] and S?S contacts [3.4392?(13)?Å]. Adjacent layers are linked by C-H?O hydrogen bonds and weak ?-? stacking inter-actions [centroid-centroid distance = 4.0045?(10)?Å] between the thia-zoline rings, forming a three-dimensional network. This stacking also imposes a close contact, of approximately 3.678?Å, between the Cu(I) cations and the centroids of the six-membered chelate rings of mol-ecules in adjacent layers.

SUBMITTER: Saithong S 

PROVIDER: S-EPMC4158518 | biostudies-other | 2014 Aug

REPOSITORIES: biostudies-other

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Crystal structure of [3-(4,5-di-hydro-1,3-thia-zolin-2-yl-κN)-1,3-thia-zolidine-2-thione-κS (2)](1,3-thia-zol-idine-2-thione-κS (2))copper(I) nitrate.

Saithong Saowanit S   Klongkleaw Pirawan P   Pakawatchai Chaveng C   Mokakul Jedsada J  

Acta crystallographica. Section E, Structure reports online 20140719 Pt 8


The mononuclear complex salt, [Cu(C3H5NS2)(C6H8N2S3)]NO3, contains a [C9H13CuN3S5](+) cation and an NO3 (-) anion. All of the non-H atoms of the cation lie on a mirror plane, as do the N and one O atom of the nitrate anion, such that the planes of the cation and anion are mutually orthogonal. The cationic complex adopts a slightly distorted trigonal-planar geometry about the Cu(I) cation. In the crystal, layers parallel to (010) are generated by N-H⋯O hydrogen bonds, supported by short S⋯O [3.19  ...[more]

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