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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 unit of complex (I) (A•B). Displacement ellipsoids are drawn at the 50% probability level. Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions. [Symmetry codes: (i) 1 − x, y,  − z; (ii)  − x,  − y, 1 − z.]
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fig1: The supra­molecular unit of complex (I) (A•B). Displacement ellipsoids are drawn at the 50% probability level. Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions. [Symmetry codes: (i) 1 − x, y,  − z; (ii)  − x,  − y, 1 − z.]

Mentions: Complex (I) contains one mol­ecule of tetra­cyano­ethyl­ene B per one mol­ecule of the mercury macrocycle A, i.e., C18F12Hg3·C6N4 (A•B), and crystallizes in the monoclinic space group C2/c. Both macrocycle A and the mol­ecule of B occupy special positions on a twofold rotation axis and inversion centre, respectively. The supra­molecular unit of (I) is built by the simultaneous coordination of the nitrile N1 nitro­gen atom of B to the three mercury atoms of the macrocycle A (Fig. 1 ▸). The Hg⋯N distances range from 2.990 (4) to 3.030 (4) Å and are very close to those observed in related adducts of macrocycle A with other nitrile derivatives: aceto­nitrile [2.93 (1)–2.99 (1) Å], acrylo­nitrile [2.87 (1)–2.96 (1) Å] and benzo­nitrile [2.97 (1)–3.13 (1) Å] (Tikhonova et al., 2000 ▸) and 7,7,8,8-tetra­cyano­quinodi­methane (II) [3.102 (11)–3.134 (11) Å] (Haneline & Gabbaï, 2004b ▸). Thus, the N1 nitro­gen atom is essentially equidistant to the three Lewis acidic sites of the macrocycle A. The mol­ecule of B is almost perpendicular to the mean plane of macrocycle A, making a dihedral angle of 88.20 (5)°. It is very important to point out that the donor–acceptor Hg⋯N inter­actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å].


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 unit of complex (I) (A•B). Displacement ellipsoids are drawn at the 50% probability level. Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions. [Symmetry codes: (i) 1 − x, y,  − z; (ii)  − x,  − y, 1 − z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig1: The supra­molecular unit of complex (I) (A•B). Displacement ellipsoids are drawn at the 50% probability level. Dashed lines indicate the inter­molecular secondary Hg⋯N inter­actions. [Symmetry codes: (i) 1 − x, y,  − z; (ii)  − x,  − y, 1 − z.]
Mentions: Complex (I) contains one mol­ecule of tetra­cyano­ethyl­ene B per one mol­ecule of the mercury macrocycle A, i.e., C18F12Hg3·C6N4 (A•B), and crystallizes in the monoclinic space group C2/c. Both macrocycle A and the mol­ecule of B occupy special positions on a twofold rotation axis and inversion centre, respectively. The supra­molecular unit of (I) is built by the simultaneous coordination of the nitrile N1 nitro­gen atom of B to the three mercury atoms of the macrocycle A (Fig. 1 ▸). The Hg⋯N distances range from 2.990 (4) to 3.030 (4) Å and are very close to those observed in related adducts of macrocycle A with other nitrile derivatives: aceto­nitrile [2.93 (1)–2.99 (1) Å], acrylo­nitrile [2.87 (1)–2.96 (1) Å] and benzo­nitrile [2.97 (1)–3.13 (1) Å] (Tikhonova et al., 2000 ▸) and 7,7,8,8-tetra­cyano­quinodi­methane (II) [3.102 (11)–3.134 (11) Å] (Haneline & Gabbaï, 2004b ▸). Thus, the N1 nitro­gen atom is essentially equidistant to the three Lewis acidic sites of the macrocycle A. The mol­ecule of B is almost perpendicular to the mean plane of macrocycle A, making a dihedral angle of 88.20 (5)°. It is very important to point out that the donor–acceptor Hg⋯N inter­actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å].

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