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5,11,17,23-Tetra-bromo-25,26,27,28-tetra-kis(4-tolyl-sulfon-yloxy)-2,8,14,20-tetra-thia-calix[4]arene dichloro-methane solvate.

Chen YF, Liu Y, Ma JP, Guo DS - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In the supra-molecular structure, a solvent-bridged dimer composed of two main mol-ecules is formed by four inter-molecular C-H⋯O hydrogen bonds and locally creates an R(4) (4)(26) motif.Such dimers associate further into chains by inter-dimer C-Cl⋯O short contacts [Cl⋯O 3.182 (5) Å].Finally, these chains are linked into a two-dimensional network by a combination of inter-chain C-Br⋯O inter-actions [Br⋯O = 3.183 (3) and 2.966 (4) Å] as well as C-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China.

ABSTRACT
In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thia-calix[4]arene unit adopts a 1,3-alternate conformation with an intra-molecular C-H⋯O hydrogen bond and four C-H⋯π inter-actions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The benzene ring of each 4-MeC(6)H(4)SO(3) unit is nearly perpendicular to one of the two neighboring phenol rings with inter-planar angles varying from 72.97 (13) to 78.70 (13)°, while the dihedral angles between the plane (R) and the phenol rings range from 83.04 (7) to 84.30 (9)°. In the supra-molecular structure, a solvent-bridged dimer composed of two main mol-ecules is formed by four inter-molecular C-H⋯O hydrogen bonds and locally creates an R(4) (4)(26) motif. Such dimers associate further into chains by inter-dimer C-Cl⋯O short contacts [Cl⋯O 3.182 (5) Å]. Finally, these chains are linked into a two-dimensional network by a combination of inter-chain C-Br⋯O inter-actions [Br⋯O = 3.183 (3) and 2.966 (4) Å] as well as C-H⋯O hydrogen bonds.

No MeSH data available.


Related in: MedlinePlus

A view of the one-dimensional chain of the dimers approximatively along the b axis. Some hydrogen atoms are omitted for clarity. [Symmetry codes: (i) -x + 1, -y + 2, -z; (ii) x - 1, y, z; (iv) -x, -y + 2, -z].
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Fap3: A view of the one-dimensional chain of the dimers approximatively along the b axis. Some hydrogen atoms are omitted for clarity. [Symmetry codes: (i) -x + 1, -y + 2, -z; (ii) x - 1, y, z; (iv) -x, -y + 2, -z].


5,11,17,23-Tetra-bromo-25,26,27,28-tetra-kis(4-tolyl-sulfon-yloxy)-2,8,14,20-tetra-thia-calix[4]arene dichloro-methane solvate.

Chen YF, Liu Y, Ma JP, Guo DS - Acta Crystallogr Sect E Struct Rep Online (2010)

A view of the one-dimensional chain of the dimers approximatively along the b axis. Some hydrogen atoms are omitted for clarity. [Symmetry codes: (i) -x + 1, -y + 2, -z; (ii) x - 1, y, z; (iv) -x, -y + 2, -z].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983853&req=5

Fap3: A view of the one-dimensional chain of the dimers approximatively along the b axis. Some hydrogen atoms are omitted for clarity. [Symmetry codes: (i) -x + 1, -y + 2, -z; (ii) x - 1, y, z; (iv) -x, -y + 2, -z].
Bottom Line: In the supra-molecular structure, a solvent-bridged dimer composed of two main mol-ecules is formed by four inter-molecular C-H⋯O hydrogen bonds and locally creates an R(4) (4)(26) motif.Such dimers associate further into chains by inter-dimer C-Cl⋯O short contacts [Cl⋯O 3.182 (5) Å].Finally, these chains are linked into a two-dimensional network by a combination of inter-chain C-Br⋯O inter-actions [Br⋯O = 3.183 (3) and 2.966 (4) Å] as well as C-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China.

ABSTRACT
In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thia-calix[4]arene unit adopts a 1,3-alternate conformation with an intra-molecular C-H⋯O hydrogen bond and four C-H⋯π inter-actions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The benzene ring of each 4-MeC(6)H(4)SO(3) unit is nearly perpendicular to one of the two neighboring phenol rings with inter-planar angles varying from 72.97 (13) to 78.70 (13)°, while the dihedral angles between the plane (R) and the phenol rings range from 83.04 (7) to 84.30 (9)°. In the supra-molecular structure, a solvent-bridged dimer composed of two main mol-ecules is formed by four inter-molecular C-H⋯O hydrogen bonds and locally creates an R(4) (4)(26) motif. Such dimers associate further into chains by inter-dimer C-Cl⋯O short contacts [Cl⋯O 3.182 (5) Å]. Finally, these chains are linked into a two-dimensional network by a combination of inter-chain C-Br⋯O inter-actions [Br⋯O = 3.183 (3) and 2.966 (4) Å] as well as C-H⋯O hydrogen bonds.

No MeSH data available.


Related in: MedlinePlus