Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chloro­phenoxy)-1,3,5-triazine with tribromobenzene

The title complex has been studied using low‐temperature X‐­ray (150 K) and neutron (100 K) diffraction. Molecules of the triazine host form a two‐dimensional hexagonal network mediated by trigonally symmetric Cl3 synthons having Cl⋯Cl interactions of 3.441 (3) Å, a C—Cl⋯Cl angle of 165° and a Cl⋯Cl...

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Veröffentlicht in:Acta crystallographica. Section B, Structural science Structural science, 2000-12, Vol.56 (6), p.1080-1084
Hauptverfasser: Broder, Charlotte K., Howard, Judith A. K., Keen, David A., Wilson, Chick C., Allen, Frank H., Jetti, Ram K. R., Nangia, Ashwini, Desiraju, Gautam R.
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Sprache:eng
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Zusammenfassung:The title complex has been studied using low‐temperature X‐­ray (150 K) and neutron (100 K) diffraction. Molecules of the triazine host form a two‐dimensional hexagonal network mediated by trigonally symmetric Cl3 synthons having Cl⋯Cl interactions of 3.441 (3) Å, a C—Cl⋯Cl angle of 165° and a Cl⋯Cl—C angle of 105°, close to the ideal values of 180 and 90°, respectively. The guest molecules are of an appropriate size to fit the hexagonal networks and interact with the host via C—H⋯π (phenyl) and C—Br⋯π (phenyl) interactions which stabilize the overall structure. Both C‐donor bond vectors are directed more closely towards the mid‐point (X) of an individual aromatic bond, rather than the ring centroid, with H⋯X 2.817 (9) Å and C—H⋯X 174.0 (9)°, and Br⋯X 3.353 (4) Å and C—Br⋯X 158.1 (2)°.
ISSN:0108-7681
1600-5740
DOI:10.1107/S0108768100011551