Dataset Information

A two-dimensional coordination polymer: poly[[bis-[?2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-?3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].

ABSTRACT: The title compound, {[Cd(C9H11N2S2)2]·C6H7N} n , features two ?2-?3-di-thio-carbamate ligands each of which chelates one CdII atom, via the S atoms, while simultaneously bridging to another via the pyridyl-N atom. The result is a two-dimensional coordination polymer extending parallel to the ab plane with square channels along the b axis. The CdII atom geometry is based on a distorted cis-N2S4 octa-hedron. The 3-methyl-pyridine mol-ecules reside in the channels aligned along the b axis, being held in place by methyl-ene-C-H?N(3-methyl-pyridine) and (3-methyl-pyridine)-C-H??(pyrid-yl) inter-actions. Pyridyl-C-H?S and di-thio-carbamate-methyl-C-H??(pyrid-yl) inter-actions provide connections between layers along the c axis.

SUBMITTER: Arman HD

PROVIDER: S-EPMC5382605 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

A two-dimensional coordination polymer: poly[[bis-[μ2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].

Arman Hadi D HD Poplaukhin Pavel P Tiekink Edward R T ERT

Acta crystallographica. Section E, Crystallographic communications 20170310 Pt 4

The title compound, {[Cd(C9H11N2S2)2]·C6H7N} n , features two μ2-κ3-di-thio-carbamate ligands each of which chelates one CdII atom, via the S atoms, while simultaneously bridging to another via the pyridyl-N atom. The result is a two-dimensional coordination polymer extending parallel to the ab plane with square channels along the b axis. The ...[more]

PMID: 28435704

Similar Datasets

Project description:The asymmetric unit of the title compound, [{Sn(C4H9)2(C6H5COO)}2O]2, consists of two half molecules, completed by application of inversion symmetry. Both mol-ecules adopt a ladder structure typical for this class of dimeric tetra-organodistannoxane di-carboxyl-ates characterized by a centrosymmetric four-membered (Sn-O)2 ring of rhomboidal shape that is extended on both sides by folded six-membered Sn-O-C rings. To a first approximation, both kinds of Sn atoms (Sn i and Sn o ) are trigonal-bipyramidally coordinated. The bond angles between the n-butyl groups are widened [135.64 (7)-146.20 (7)°] in comparison with an ideal trigonal bipyramid. Sn-O bond lengths within the {R2SnO3} coordination sphere depend strongly on the position of the corresponding O atom - axial (ax) or equatorial (eq) - as well as on the functionality of the carboxyl-ate groups which exhibit μ2 (-COO i ) and μ1 (-COO o ) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sn o -Oμ3) eq [2.024 (2) Å] < d(Sn i -Oμ3) eq [2.044 (2) Å] < d(Sn i -Oμ3) ax [2.158 (6) Å] < d(Sn o -Oμ1-carb) ax [2.182 (6) Å] < d(Sn i -Oμ2-carb) ax [2.250 (2) Å] ≃ d(Sn o -Oμ2-carb) ax [2.247 (12) Å]. The n-butyl groups adopt an anti-anti conformation with exception of two disordered outer n-butyl groups of the second mol-ecule which exhibit gauche-anti and anti-gauche conformations. Weak intra-molecular Sn⋯O inter-actions between the different O atoms of the outer carboxyl groups with the inner, as well as outer, Sn atoms give rise to a strongly distorted octa-hedral coordination at these Sn atoms. Inter-molecular inter-actions between the individual mol-ecules are restricted to van der Waals and O⋯H-C inter-actions of which a nearly linear very short C-H⋯O contact between the H atom of the phenyl group of one of the mol-ecules with the outer non-coordinating C=O group of the other molecule is the most prominent. It gives rise to a chain-like arrangement of the mol-ecules along [111]. The two n-butyl groups attached to the outer Sn atom of one mol-ecule are disordered over two sets of sites with occupancies of 0.806 (3)/0.194 (3) and 0.702 (3)/0.298 (3).

Dataset Information

A two-dimensional coordination polymer: poly[[bis-[?2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-?3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].

Publications

A two-dimensional coordination polymer: poly[[bis-[μ<sub>2</sub>-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ<sup>3</sup><i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)] 3-methyl-pyridine monosolvate].

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets