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Crystal structure of cyclo-tris-(μ-3,4,5,6-tetra-fluoro-o-phenyl-ene-κ(2) C (1):C (2))trimercury-tetra-cyano-ethyl-ene (1/1).

Castañeda R, Timofeeva TV, Khrustalev VN - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The donor-acceptor Hg⋯N inter-actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å].The remaining N atoms of two nitrile groups of B are not engaged in any donor-acceptor inter-actions.In the crystal, the mixed stacks are held together by inter-molecular C-F⋯C N secondary inter-actions [2.846 (5)-2.925 (5) Å].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry & Biology, New Mexico Highlands University, 803 University Ave., Las Vegas, NM 87701, USA.

ABSTRACT
The title compound, [Hg3(C6F4)3]·C6N4, contains one mol-ecule of tetra-cyano-ethyl-ene B per one mol-ecule of mercury macrocycle A, i.e., A•B, and crystallizes in the monoclinic space group C2/c. Macrocycle A and mol-ecule B both occupy special positions on a twofold rotation axis and the inversion centre, respectively. The supra-molecular unit [A•B] is built by the simultaneous coordination of one of the nitrile N atoms of B to the three mercury atoms of the macrocycle A. The Hg⋯N distances range from 2.990 (4) to 3.030 (4) Å and are very close to those observed in the related adducts of the macrocycle A with other nitrile derivatives. The mol-ecule of B is almost perpendicular to the mean plane of the macrocycle A at the dihedral angle of 88.20 (5)°. The donor-acceptor Hg⋯N inter-actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å]. The trans nitrile group of B coordinates to another macrocycle A, forming an infinite mixed-stack [A•B]∞ architecture toward [101]. The remaining N atoms of two nitrile groups of B are not engaged in any donor-acceptor inter-actions. In the crystal, the mixed stacks are held together by inter-molecular C-F⋯C N secondary inter-actions [2.846 (5)-2.925 (5) Å].

No MeSH data available.


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The supra­molecular structure of complex (II) ([A•C•A•1.5D]∞). Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions.
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fig4: The supra­molecular structure of complex (II) ([A•C•A•1.5D]∞). Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions.

Mentions: It is inter­esting to note that the crystal structures of (I) and (II) are very similar. In both complexes, the guest mol­ecules of tetra­cyano­ethyl­ene B and tetra­cyano­quinodi­methane C are arranged perpendicularly to macrocycle A, with the same coordination mode of the trans nitrile groups to the three mercury atoms (Fig. 4 ▸). However, the supra­molecular unit in (I) is A•B (a 1:1 ratio), whereas that in (II) is A•C•A (a 2:1 ratio) (Fig. 4 ▸). Beside the mol­ecules of C, complex (II) includes the additional solvate CS2 (D) mol­ecules. The mol­ecules of D participate in the construction of the supra­molecular architecture of (II), resulting in infinite mixed stacks [A•C•A•1.5D]∞ (Fig. 4 ▸). Remarkably, the total number of donor–acceptor inter­molecular inter­actions within the infinite mixed stacks of (I) and (II) is equal ([12 Hg⋯N]∞ and [6 Hg⋯N + 6 Hg⋯S]∞, respectively).


Crystal structure of cyclo-tris-(μ-3,4,5,6-tetra-fluoro-o-phenyl-ene-κ(2) C (1):C (2))trimercury-tetra-cyano-ethyl-ene (1/1).

Castañeda R, Timofeeva TV, Khrustalev VN - Acta Crystallogr E Crystallogr Commun (2015)

The supra­molecular structure of complex (II) ([A•C•A•1.5D]∞). Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4644994&req=5

fig4: The supra­molecular structure of complex (II) ([A•C•A•1.5D]∞). Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions.
Mentions: It is inter­esting to note that the crystal structures of (I) and (II) are very similar. In both complexes, the guest mol­ecules of tetra­cyano­ethyl­ene B and tetra­cyano­quinodi­methane C are arranged perpendicularly to macrocycle A, with the same coordination mode of the trans nitrile groups to the three mercury atoms (Fig. 4 ▸). However, the supra­molecular unit in (I) is A•B (a 1:1 ratio), whereas that in (II) is A•C•A (a 2:1 ratio) (Fig. 4 ▸). Beside the mol­ecules of C, complex (II) includes the additional solvate CS2 (D) mol­ecules. The mol­ecules of D participate in the construction of the supra­molecular architecture of (II), resulting in infinite mixed stacks [A•C•A•1.5D]∞ (Fig. 4 ▸). Remarkably, the total number of donor–acceptor inter­molecular inter­actions within the infinite mixed stacks of (I) and (II) is equal ([12 Hg⋯N]∞ and [6 Hg⋯N + 6 Hg⋯S]∞, respectively).

Bottom Line: The donor-acceptor Hg⋯N inter-actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å].The remaining N atoms of two nitrile groups of B are not engaged in any donor-acceptor inter-actions.In the crystal, the mixed stacks are held together by inter-molecular C-F⋯C N secondary inter-actions [2.846 (5)-2.925 (5) Å].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry & Biology, New Mexico Highlands University, 803 University Ave., Las Vegas, NM 87701, USA.

ABSTRACT
The title compound, [Hg3(C6F4)3]·C6N4, contains one mol-ecule of tetra-cyano-ethyl-ene B per one mol-ecule of mercury macrocycle A, i.e., A•B, and crystallizes in the monoclinic space group C2/c. Macrocycle A and mol-ecule B both occupy special positions on a twofold rotation axis and the inversion centre, respectively. The supra-molecular unit [A•B] is built by the simultaneous coordination of one of the nitrile N atoms of B to the three mercury atoms of the macrocycle A. The Hg⋯N distances range from 2.990 (4) to 3.030 (4) Å and are very close to those observed in the related adducts of the macrocycle A with other nitrile derivatives. The mol-ecule of B is almost perpendicular to the mean plane of the macrocycle A at the dihedral angle of 88.20 (5)°. The donor-acceptor Hg⋯N inter-actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å]. The trans nitrile group of B coordinates to another macrocycle A, forming an infinite mixed-stack [A•B]∞ architecture toward [101]. The remaining N atoms of two nitrile groups of B are not engaged in any donor-acceptor inter-actions. In the crystal, the mixed stacks are held together by inter-molecular C-F⋯C N secondary inter-actions [2.846 (5)-2.925 (5) Å].

No MeSH data available.


Related in: MedlinePlus