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Crystal structure of 210,220-bis-(2,6-di-chloro-phen-yl)-4,7,12,15-tetra-oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo-hepta-deca-phane-9-yne di-chloro-methane monosolvate.


ABSTRACT: The asymmetric unit of the title compound, [Ni(C52H34Cl4N4O4)]·CH2Cl2, consists of two discrete complexes, which show significant differences in the conformation of the side chain. Each NiII cation is coordinated by four nitro-gen atoms of a porphyrin mol-ecule within a square-planar coordination environment. Weak intra-molecular C-H?Cl and C-H?O inter-actions stabilize the mol-ecular conformation. In the crystal structure, discrete complexes are linked by C-H?Cl hydrogen-bonding inter-actions. In addition, the two unique di-chloro-methane solvate mol-ecules (one being disordered) are hydrogen-bonded to the Cl atoms of the chloro-phenyl groups of the porphyrin mol-ecules, thus stabilizing the three-dimensional arrangement. The crystal exhibits pseudo-ortho-rhom-bic metrics, but structure refinements clearly show that the crystal system is monoclinic and that the crystal is twinned by pseudo-merohedry.

SUBMITTER: Peters MK 

PROVIDER: S-EPMC6658935 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of 2<sup>10</sup>,2<sup>20</sup>-bis-(2,6-di-chloro-phen-yl)-4,7,12,15-tetra-oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo-hepta-deca-phane-9-yne di-chloro-methane monosolvate.

Peters Morten K MK   Näther Christian C   Herges Rainer R  

Acta crystallographica. Section E, Crystallographic communications 20190531 Pt 6


The asymmetric unit of the title compound, [Ni(C<sub>52</sub>H<sub>34</sub>Cl<sub>4</sub>N<sub>4</sub>O<sub>4</sub>)]·CH<sub>2</sub>Cl<sub>2</sub>, consists of two discrete complexes, which show significant differences in the conformation of the side chain. Each Ni<sup>II</sup> cation is coordinated by four nitro-gen atoms of a porphyrin mol-ecule within a square-planar coordination environment. Weak intra-molecular C-H⋯Cl and C-H⋯O inter-actions stabilize the mol-ecular conformation. In the cry  ...[more]

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